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6,6-Dimethyl-2-[(phenylthio)methyl]bicyclo[3.1.1]heptan-3-one
SpectraBase Compound ID I26eo9adQaK
InChI InChI=1S/C16H20OS/c1-16(2)11-8-14(16)13(15(17)9-11)10-18-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKey RDDGBSSWJBBZDF-BNOWGMLFSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1L7wAHZwDw
Name 6,6-Dimethyl-2-[(phenylthio)methyl]bicyclo[3.1.1]heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-16(2)11-8-14(16)13(15(17)9-11)10-18-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKey RDDGBSSWJBBZDF-BNOWGMLFSA-N
Molecular Weight 260.395 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(CC([C@@]1(CSc1ccccc1)[H])=O)[H])[H]
SPLASH splash10-03di-9510000000-dc8929170a39f398c172
Source of Spectrum H-83-627-3
Synonyms (1S,2R,5R)-6,6-Dimethyl-2-phenylsulfanylmethyl-bicyclo[3.1.1]heptan-3-one 6,6-Dimethyl-2-[(phenylsulfanyl)methyl]bicyclo[3.1.1]heptan-3-one
Wiley ID 846908