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(1R,2S,3R,5S)-(-)-2-Benzyl-1,8,8-trimethyl-3-thiabicyclo[3.2.1]octane-3-oxide
SpectraBase Compound ID J2W6xpOdhnG
InChI InChI=1S/C17H24OS/c1-16(2)14-9-10-17(16,3)12-19(18)15(14)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-,17+,19?/m0/s1
InChIKey CANXFLAAJPELRZ-JYPNTWJUSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzQMHdSM1A6
Name (1R,2S,3R,5S)-(-)-2-Benzyl-1,8,8-trimethyl-3-thiabicyclo[3.2.1]octane-3-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-16(2)14-9-10-17(16,3)12-19(18)15(14)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-,17+,19?/m0/s1
InChIKey CANXFLAAJPELRZ-JYPNTWJUSA-N
Molecular Weight 276.438 g/mol
SMILES [C@@]1([S@@](C[C@]2(CC[C@@]1(C2(C)C)[H])C)=O)(Cc1ccccc1)[H]
SPLASH splash10-054o-6940000000-c80e262b37a12a605254
Source of Spectrum F-50-6070-7
Synonyms (1R,2S,3R,5S)-(-)-2-Benzyl-5,8,8-trimethyl-3-thiabicyclo[3.2.1]octane-3-oxide (1R,2S,5S)-2-benzyl-1,8,8-trimethyl-3-thiabicyclo[3.2.1]octane 3-oxide
Wiley ID 1280303