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(1S*,4S*,7S*)-1,3,3-Trimethyl-7-phenylsulfonylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID E150V42GpAI
InChI InChI=1S/C17H20O3S/c1-16(2)12-9-10-17(3,15(16)18)14(11-12)21(19,20)13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3/t12-,14-,17+/m0/s1
InChIKey PCNUQTPULVAXAR-RVSPLBMKSA-N
Mol Weight 304.4 g/mol
Molecular Formula C17H20O3S
Exact Mass 304.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFBYvWcO5uu
Name (1S*,4S*,7S*)-1,3,3-Trimethyl-7-phenylsulfonylbicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S
InChI InChI=1S/C17H20O3S/c1-16(2)12-9-10-17(3,15(16)18)14(11-12)21(19,20)13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3/t12-,14-,17+/m0/s1
InChIKey PCNUQTPULVAXAR-RVSPLBMKSA-N
Molecular Weight 304.404 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)([C@@]2(C(=O)C([C@](C1)(C=C2)[H])(C)C)C)[H]
SPLASH splash10-0006-9600000000-672af96208b73404604f
Source of Spectrum F-69-457-1
Synonyms 1,3,3-trimethyl-7-(phenylsulfonyl)bicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1594539