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Acetonitrile, (3-chloro-5,5-dimethyl-2-cyclohexen-1-ylidene)-, (E)-
SpectraBase Compound ID E8s2IiJKOVO
InChI InChI=1S/C10H12ClN/c1-10(2)6-8(3-4-12)5-9(11)7-10/h3,5H,6-7H2,1-2H3/b8-3-
InChIKey GVPFBMWZUZCVRE-BAQGIRSFSA-N
Mol Weight 181.67 g/mol
Molecular Formula C10H12ClN
Exact Mass 181.065827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36xj0Vl8JE
Name Acetonitrile, (3-chloro-5,5-dimethyl-2-cyclohexen-1-ylidene)-, (E)-
Alternate Name(s) (2E)-(3-Chloro-5,5-dimethyl-2-cyclohexen-1-ylidene)ethanenitrile (2E)-2-(3-chloranyl-5,5-dimethyl-cyclohex-2-en-1-ylidene)ethanenitrile (2E)-2-(3-chloro-5,5-dimethyl-1-cyclohex-2-enylidene)acetonitrile (2E)-2-(3-chloro-5,5-dimethyl-cyclohex-2-en-1-ylidene)acetonitrile
CAS Registry Number 76399-17-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12ClN
InChI InChI=1S/C10H12ClN/c1-10(2)6-8(3-4-12)5-9(11)7-10/h3,5H,6-7H2,1-2H3/b8-3-
InChIKey GVPFBMWZUZCVRE-BAQGIRSFSA-N
Molecular Weight 181.666 g/mol
SMILES CC1(C)CC(Cl)=C\C(C1)=C\C#N
SPLASH splash10-00m1-5900000000-a9841df2bad9c21e8380
Source of Spectrum W5-0-0-0
Wiley ID 1177439