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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4j25QmxTW1I
Name Benzoic acid, 3-cyano-
CAS Registry Number 1877-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 147.133 g/mol
SMILES OC(c1cccc(c1)C#N)=O
SPLASH splash10-0f8a-5900000000-d8ebcec868f9a54eca66
Source of Spectrum W5-6725-0-0
Synonyms 3-Carboxybenzonitrile 3-Cyanobenzoic acid Benzoic acid, m-cyano- m-Carboxybenzonitrile m-Cyanobenzoic acid EINECS 217-511-1
Wiley ID 1144794