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4-[(E)-alpha-Chlorobenzyliden]-3,5,5-trimethyl-1-cyclohexene
SpectraBase Compound ID LibKFCtVPDk
InChI InChI=1S/C16H19Cl/c1-12-8-7-11-16(2,3)14(12)15(17)13-9-5-4-6-10-13/h4-10,12H,11H2,1-3H3/b15-14+
InChIKey HTUMBIWOLIMEGP-CCEZHUSRSA-N
Mol Weight 246.78 g/mol
Molecular Formula C16H19Cl
Exact Mass 246.117528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5tgVVLA8N4
Name 4-[(E)-alpha-Chlorobenzyliden]-3,5,5-trimethyl-1-cyclohexene
Alternate Name(s) (E)-(chloro(2,6,6-trimethylcyclohex-3-en-1-ylidene)methyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19Cl
InChI InChI=1S/C16H19Cl/c1-12-8-7-11-16(2,3)14(12)15(17)13-9-5-4-6-10-13/h4-10,12H,11H2,1-3H3/b15-14+
InChIKey HTUMBIWOLIMEGP-CCEZHUSRSA-N
Molecular Weight 246.781 g/mol
SMILES C=1CC(\C(C(C1)C)=C/(Cl)c1ccccc1)(C)C
SPLASH splash10-0i01-0590000000-e69e4967813bb41b7236
Source of Spectrum K-115-3544-(E)_5h
Wiley ID 1791920