Sample Description:

Molecular Formula: C7H5ClO2 Molecular Weight: 156.566 InChI= 1/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/f/h9H IUPAC Name:  2-Chlorobenzoic acid CAS Number: 118-91-2 PubChem: 8374 NMRShiftDB: 20097205 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	16384	8	6024.11	-1665.404				?
carbon	16384	88	20000.00	-2103.814				?

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: 0.979675 (    8374)    2: 0.973720 (   74041)    3: 0.972555 (     447)
    4: 0.971239 (    6318)    5: 0.953427 (11051907)    6: 0.937698 (  593609)
    7: 0.931270 (   17022)    8: 0.930538 (  528393)    9: 0.929434 (   12481)
   10: 0.928340 (  593616)
			

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

The correct structure is at position 1.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.938372 (    8374)    2: 0.930991 (     447)    3: 0.926045 (    6318)
    4: 0.780615 (   74041)    5: 0.770825 (11051907)    6: 0.759320 (  593376)
    7: 0.753057 (   17022)    8: 0.745641 (  519651)    9: 0.732024 (  528393)
   10: 0.726097 (10920765)
			

Comments:

FindIt identifies the correct structure at its top position for molecular formula and proton results. The molecular formula is also needed for proton and carbon results, as the carbon resonances have shifts up to 4 ppm (the carboxyl carbon) different from expected shifts. The likely reason is the CDCl₃ solvent was used, while the reference compounds were determined in DMSO-d₆.