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(2E)-3-(1H-Isochromen-3-yl)acrylonitrile
SpectraBase Compound ID EQ3wgcJQfzu
InChI InChI=1S/C12H9NO/c13-7-3-6-12-8-10-4-1-2-5-11(10)9-14-12/h1-6,8H,9H2/b6-3+
InChIKey KKACMIGFFVKAAD-ZZXKWVIFSA-N
Mol Weight 183.21 g/mol
Molecular Formula C12H9NO
Exact Mass 183.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfA4qIjuYwc
Name (2E)-3-(1H-Isochromen-3-yl)acrylonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO
InChI InChI=1S/C12H9NO/c13-7-3-6-12-8-10-4-1-2-5-11(10)9-14-12/h1-6,8H,9H2/b6-3+
InChIKey KKACMIGFFVKAAD-ZZXKWVIFSA-N
Literature Reference DOI 10.1002/jccs.200600191
Molecular Weight 183.210 g/mol
SMILES C(\C=C\C=1OCc2ccccc2C1)#N
SPLASH splash10-0fw9-2900000000-bb992cdc74e2bf73e9c5
Source of Spectrum QA-53-1458-10aE
Synonyms (E)-3-(1H-isochromen-3-yl)acrylonitrile
Wiley ID 1796236