Sample Description:

Molecular Formula: C7H5NO3 Molecular Weight: 151.120 InChI= 1/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H IUPAC Name:  4-Nitrobenzaldehyde CAS Number: 555-16-8 PubChem: 541 NMRShiftDB: 10006115 Spectrometer: 300 MHz Solvent: CDCl3 Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fid	np	nt	sw	rfp-rfl	ni	sw1	rfp1-rfl1	time
proton	8192	8	6024.11	-1665.644				?
carbon	8192	512	20000.00	-2106.627				?

1D Proton Spectrum:

1D Carbon Spectrum (Deuterated Solvent Resonances Subtracted):

Automated VerifyIt Proton Assignments:

Automated VerifyIt Carbon Assignments:

Top 10 FindIt Molecular Structures Consistent With Molecular Formula and Proton Resonances:

The correct structure is at position 1.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.976085 (     541)    2: 0.968918 (  171225)    3: 0.967442 (10654390)
    4: 0.963997 (    7449)    5: 0.962741 (  150790)    6: 0.958066 (   11101)
    7: 0.943390 (  345165)    8: 0.942776 ( 4739522)    9: 0.935478 ( 5489358)
   10: 0.933753 ( 7141881)
			

Top 20 FindIt Molecular Structures Consistent With Proton and Carbon Resonances:

The correct structure is at position 16.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.943487 (   81636)    2: 0.924115 (   70644)    3: 0.889471 ( 3033281)
    4: 0.883651 ( 2759210)    5: 0.881618 (  232001)    6: 0.880442 ( 3014778)
    7: 0.877303 ( 1201028)    8: 0.877237 (  283867)    9: 0.875794 (   79325)
   10: 0.871219 (  151088)   11: 0.869925 ( 1550799)   12: 0.869454 ( 4190637)
   13: 0.868726 (  603733)   14: 0.868037 (    6200)   15: 0.866474 ( 6251346)
   16: 0.863925 (     541)   17: 0.862892 (10866292)   18: 0.860789 (11242809)
   19: 0.859462 ( 6333447)   20: 0.857667 (    7726)
			

Comments:

FindIt identifies the correct structure at its top position for molecular formula and proton results. The carbon spectrum recycle time was chosen too short to observe its 151.24 ppm resonance. Its complete carbon spectrum is shown by SDBS No. 2868. Due to this missing resonance, the correct structure using the proton and carbon analysis results obtains only FindIt place 16.