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GYLKKXHEIIFTJH-UHFFFAOYSA-N
SpectraBase Compound ID 8IwcBqKiCOT
InChI InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
InChIKey GYLKKXHEIIFTJH-UHFFFAOYSA-N
Mol Weight 147.13 g/mol
Molecular Formula C8H5NO2
Exact Mass 147.032028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFBYmfmcXXR
Name BENZOIC ACID, 3-CYANO-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H5NO2
InChI InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
InChIKey GYLKKXHEIIFTJH-UHFFFAOYSA-N
Instrument Name VARIAN XL-200
Solvent CDCL3/DMSO