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5,5-Dimethyl-2-(3-methylphenyl)-4-oxo-4,5-dihydro-3-furancarbonitrile
SpectraBase Compound ID A6isuOjT0NZ
InChI InChI=1S/C14H13NO2/c1-9-5-4-6-10(7-9)12-11(8-15)13(16)14(2,3)17-12/h4-7H,1-3H3
InChIKey QZWNNZIRTPWQEK-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID An5hhTr2E6q
Name 5,5-Dimethyl-2-(3-methylphenyl)-4-oxo-4,5-dihydro-3-furancarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c1-9-5-4-6-10(7-9)12-11(8-15)13(16)14(2,3)17-12/h4-7H,1-3H3
InChIKey QZWNNZIRTPWQEK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1011532
Molecular Weight 227.263 g/mol
SMILES C1(C)(C(C(C#N)=C(O1)c1cccc(c1)C)=O)C
SPLASH splash10-0006-1920000000-bd6ef02b14eeafadd95a
Source of Spectrum A1-12-3200/SM4-13
Synonyms 5,5-Dimethyl-4-oxo-2-(m-tolyl)-4,5-dihydrofuran-3-carbonitrile
Wiley ID 1752392