Sample Description:

Molecular Formula: C9H16O4 Molecular Weight: 188.221 InChI= 1/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)/f/h10,12H IUPAC Name:  Nonanedioic acid CAS Number: 123-99-9 PubChem: 2266 Spectrometer: 300 MHz Solvent: CDCl3 & some DMSO-d6 Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fid	np	nt	sw	rfp-rfl	ni	sw1	rfp1-rfl1	time
proton	8192	8	6024.11	-1665.013				?
carbon	8192	128	20000.00	-2199.046				?

1D Proton Spectrum:

1D Proton Spectrum (-CO2H Resonances Subtracted):

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: 0.981881 (    2266)    2: 0.977398 (  565068)    3: 0.950622 (  336127)
    4: 0.948665 ( 3021711)    5: 0.947914 (  266702)    6: 0.944678 (  351486)
    7: 0.944647 ( 3279659)    8: 0.941936 ( 3304912)    9: 0.932351 (  194457)
   10: 0.929452 ( 2750121)
			

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

The correct structure is at position 9.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.960609 (  258342)    2: 0.938231 (  598614)    3: 0.927224 (  765421)
    4: 0.927090 (   95262)    5: 0.923388 (    5173)    6: 0.917984 ( 3083765)
    7: 0.916967 (  152504)    8: 0.916631 (    5192)    9: 0.915196 (    2266)
   10: 0.913154 (  252601)
			

Comments:

Azelaic acid is an antineoplastic and dermatologic agent. FindIt identifies it at its top position for molecular formula and proton spectrum results. For carbon results, it reaches the 9th place, as an accidental degeneracy of two independent sites at 28.61 ppm is uncommon. The over 250 ppm carbon sweep width is digitized by only 8192 points. With higher spectral resolution and/or higher field strength, these resonances might become separated.