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(Z)-3-(Benzylthio)-2,2,7,7-tetramethyl-3-octen-5-yne
SpectraBase Compound ID 5i1eQsGSqAR
InChI InChI=1S/C19H26S/c1-18(2,3)14-10-13-17(19(4,5)6)20-15-16-11-8-7-9-12-16/h7-9,11-13H,15H2,1-6H3/b17-13-
InChIKey NDBJEZLLBLLYEP-LGMDPLHJSA-N
Mol Weight 286.48 g/mol
Molecular Formula C19H26S
Exact Mass 286.175522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7O4mmLqlsg
Name (Z)-3-(Benzylthio)-2,2,7,7-tetramethyl-3-octen-5-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26S
InChI InChI=1S/C19H26S/c1-18(2,3)14-10-13-17(19(4,5)6)20-15-16-11-8-7-9-12-16/h7-9,11-13H,15H2,1-6H3/b17-13-
InChIKey NDBJEZLLBLLYEP-LGMDPLHJSA-N
Molecular Weight 286.477 g/mol
SMILES CC(\C(=C\C#CC(C)(C)C)SCc1ccccc1)(C)C
SPLASH splash10-052o-9080000000-84b32e0f84b76f2f80cc
Source of Spectrum F-52-12686-3
Synonyms ({[(1Z)-1-tert-butyl-5,5-dimethyl-1-hexen-3-ynyl]sulfanyl}methyl)benzene benzyl (1Z)-1-tert-butyl-5,5-dimethyl-1-hexen-3-ynyl sulfide
Wiley ID 799148