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o-(cyanomethyl)benzoic acid

View entire compound with spectra: 1 NMR, 1 UV-Vis, and 1 MS (GC)

o-(cyanomethyl)benzoic acid
SpectraBase Compound ID FIlBHa17IYx
InChI InChI=1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12)
InChIKey AGXBHBJDSLZGAP-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID yYEc0IDEkb
Name benzoic acid, 2-(cyanomethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 161.047678467 u
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12)
InChIKey AGXBHBJDSLZGAP-UHFFFAOYSA-N
Molecular Weight 161.160 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5630
Solvent DMSO-d6
Source Vendor ID: NMR/12252519