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3,3-Dimethyl-2-phenylbutyl phenyl sulfide
SpectraBase Compound ID JsNOIicnkw3
InChI InChI=1S/C18H22S/c1-18(2,3)17(15-10-6-4-7-11-15)14-19-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKey NEVMNPHVNHTVRG-UHFFFAOYSA-N
Mol Weight 270.43 g/mol
Molecular Formula C18H22S
Exact Mass 270.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 696z5EqRFk1
Name 3,3-Dimethyl-2-phenylbutyl phenyl sulfide
Alternate Name(s) {2,2-dimethyl-1-[(phenylsulfanyl)methyl]propyl}benzene
CAS Registry Number 113303-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22S
InChI InChI=1S/C18H22S/c1-18(2,3)17(15-10-6-4-7-11-15)14-19-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKey NEVMNPHVNHTVRG-UHFFFAOYSA-N
Molecular Weight 270.434 g/mol
SMILES C(CSc1ccccc1)(C(C)(C)C)c1ccccc1
SPLASH splash10-06rl-5910000000-1921fd8ccb1e991d9ffd
Source of Spectrum J-54-1841-0
Wiley ID 1274869