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(3R,4S,5R)-3,4,5-trimethyl-2-thiolanone
SpectraBase Compound ID JIJ79bDJCrt
InChI InChI=1S/C7H12OS/c1-4-5(2)7(8)9-6(4)3/h4-6H,1-3H3/t4-,5+,6+/m0/s1
InChIKey QSMKFHXSSPGPGX-KVQBGUIXSA-N
Mol Weight 144.23 g/mol
Molecular Formula C7H12OS
Exact Mass 144.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MbSpkCFRkL
Name (3R,4S,5R)-3,4,5-trimethyl-2-thiolanone
Alternate Name(s) (3R,4S,5R)-3,4,5-trimethyltetrahydrothiophen-2-one (3R,4S,5R)-3,4,5-trimethylthiolan-2-one
CAS Registry Number 88431-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12OS
InChI InChI=1S/C7H12OS/c1-4-5(2)7(8)9-6(4)3/h4-6H,1-3H3/t4-,5+,6+/m0/s1
InChIKey QSMKFHXSSPGPGX-KVQBGUIXSA-N
Molecular Weight 144.232 g/mol
SMILES C1(S[C@](C)([C@]([C@]1(C)[H])(C)[H])[H])=O
SPLASH splash10-014l-9700000000-a11e21725b78ab4d6982
Source of Spectrum C-106-1084-0
Wiley ID 1142352