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(cis)-3-(2',2'-Dimethylpropyl)-2,2-dimethyl-5-[(phenylthio)methyl]-cyclohexanone
SpectraBase Compound ID 5eF3jvZVFhl
InChI InChI=1S/C20H30OS/c1-19(2,3)13-16-11-15(12-18(21)20(16,4)5)14-22-17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3/t15-,16-/m1/s1
InChIKey DKNZYNMKDNSSPE-HZPDHXFCSA-N
Mol Weight 318.52 g/mol
Molecular Formula C20H30OS
Exact Mass 318.201737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLZ6vCzUeuA
Name (cis)-3-(2',2'-Dimethylpropyl)-2,2-dimethyl-5-[(phenylthio)methyl]-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30OS
InChI InChI=1S/C20H30OS/c1-19(2,3)13-16-11-15(12-18(21)20(16,4)5)14-22-17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3/t15-,16-/m1/s1
InChIKey DKNZYNMKDNSSPE-HZPDHXFCSA-N
Molecular Weight 318.519 g/mol
SMILES C1(C(C[C@@](C[C@@]1(CC(C)(C)C)[H])(CSc1ccccc1)[H])=O)(C)C
SPLASH splash10-0601-4923000000-80520a430d994b1970af
Source of Spectrum C-118-9840-cis-J
Wiley ID 1698828