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(2E)-2-(4,4-dimethyl-2-methylsulfanyl-3H-pyrrol-5-ylidene)acetonitrile
SpectraBase Compound ID CWBHQTsiloC
InChI InChI=1S/C9H12N2S/c1-9(2)6-8(12-3)11-7(9)4-5-10/h4H,6H2,1-3H3/b7-4+
InChIKey ODDMCENQULOIDU-QPJJXVBHSA-N
Mol Weight 180.27 g/mol
Molecular Formula C9H12N2S
Exact Mass 180.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkMKuWizlOG
Name (2E)-2-(4,4-dimethyl-2-methylsulfanyl-3H-pyrrol-5-ylidene)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2S
InChI InChI=1S/C9H12N2S/c1-9(2)6-8(12-3)11-7(9)4-5-10/h4H,6H2,1-3H3/b7-4+
InChIKey ODDMCENQULOIDU-QPJJXVBHSA-N
Molecular Weight 180.269 g/mol
SMILES C(#N)\C=C/1N=C(CC1(C)C)SC
SPLASH splash10-00lr-6900000000-f17f36431640c10eee80
Synonyms (2E)-2-(4,4-dimethyl-2-methylsulfanyl-3H-pyrrol-5-ylidene)ethanenitrile (2E)-2-[3,3-dimethyl-5-(methylthio)-1-pyrrolin-2-ylidene]acetonitrile (2E)-2-[4,4-dimethyl-2-(methylthio)-3H-pyrrol-5-ylidene]acetonitrile (2E)-[3,3-Dimethyl-5-(methylsulfanyl)-3,4-dihydro-2H-pyrrol-2-ylidene]ethanenitrile (3,3-Dimethyl-5-methylthio-3,4(2H)-dihydropyrrol-2-ylidene)acetonitrile
Wiley ID 1488896