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4-[(E)-alpha-Chlorobenzyliden]-rel-3-methyl-trans-5-phenyl-1-cyclohexene
SpectraBase Compound ID 7uNjUqHFirU
InChI InChI=1S/C20H19Cl/c1-15-9-8-14-18(16-10-4-2-5-11-16)19(15)20(21)17-12-6-3-7-13-17/h2-13,15,18H,14H2,1H3/b20-19+/t15-,18+/m0/s1
InChIKey RPYVVWANCGCPLA-UQOLYHHISA-N
Mol Weight 294.82 g/mol
Molecular Formula C20H19Cl
Exact Mass 294.117528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ldy9pPqxU
Name 4-[(E)-alpha-Chlorobenzyliden]-rel-3-methyl-trans-5-phenyl-1-cyclohexene
Alternate Name(s) (1R,3S,E)-2-(chloro(phenyl)methylene)-3-methyl-1,2,3,6-tetrahydro-1,1'-biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19Cl
InChI InChI=1S/C20H19Cl/c1-15-9-8-14-18(16-10-4-2-5-11-16)19(15)20(21)17-12-6-3-7-13-17/h2-13,15,18H,14H2,1H3/b20-19+/t15-,18+/m0/s1
InChIKey RPYVVWANCGCPLA-UQOLYHHISA-N
Literature Reference DOI 10.1002/cber.19821151106
Molecular Weight 294.825 g/mol
SMILES C=1C[C@@](\C([C@](C1)(C)[H])=C/(Cl)c1ccccc1)(c1ccccc1)[H]
SPLASH splash10-05mo-1690000000-29c8676d2177aa497c45
Source of Spectrum K-115-3546-(E)_5o_t
Wiley ID 1791923