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4-Buta-2,3-dienoylbenzonitrile
SpectraBase Compound ID 6JaUS8rFPkN
InChI InChI=1S/C11H7NO/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h3-7H,1H2
InChIKey ZDQYDBFXIBYVNR-UHFFFAOYSA-N
Mol Weight 169.18 g/mol
Molecular Formula C11H7NO
Exact Mass 169.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIJjut7gEZQ
Name 4-Buta-2,3-dienoylbenzonitrile
Alternate Name(s) 4-(buta-2,3-dienoyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7NO
InChI InChI=1S/C11H7NO/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h3-7H,1H2
InChIKey ZDQYDBFXIBYVNR-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(199905)341_4_342
Molecular Weight 169.183 g/mol
SMILES c1(ccc(cc1)C#N)C(C=C=C)=O
SPLASH splash10-001i-0900000000-38ee05c04a56ef866e2c
Source of Spectrum JF-341-353-1j
Wiley ID 1766685