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3-Cyano-benzaldehyde
SpectraBase Compound ID K9oTQBhxmNm
InChI InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H
InChIKey HGZJJKZPPMFIBU-UHFFFAOYSA-N
Mol Weight 131.13 g/mol
Molecular Formula C8H5NO
Exact Mass 131.037114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZuyNE9Usdx
Name 3-Cyanobenzaldehyde
CAS Registry Number 24964-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO
InChI InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H
InChIKey HGZJJKZPPMFIBU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1028892
Molecular Weight 131.134 g/mol
SMILES c1(cc(C#N)ccc1)C=O
SPLASH splash10-001i-0900000000-d788d6200e3186670bd3
Source of Spectrum A1-13-648/SMS9-Table2,entry15
Synonyms 3-Formylbenzonitrile Benzonitrile, 3-formyl- 3-Methanoylbenzenecarbonitrile
Wiley ID 1749864