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Cyclopentanone, 3-[1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-, [R*,R*-(E)]-(.+-.)-
SpectraBase Compound ID BHrjKFx55ai
InChI InChI=1S/C16H20O2S/c1-16(2,13-8-9-14(17)12-13)10-11-19(18)15-6-4-3-5-7-15/h3-7,10-11,13H,8-9,12H2,1-2H3/b11-10+/t13-,19?/m1/s1
InChIKey NFTSZMQLLGTLII-SUFJFEGRSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTNEEVoTgYB
Name Cyclopentanone, 3-[1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]-, [R*,R*-(E)]-(.+-.)-
Alternate Name(s) (2'E,3RS,RSSS)-3-[1',1'-dimethyl-3'-(phenylsulfinyl)prop-2'-enyl]cyclopentanone (3R)-3-[(2E)-1,1-dimethyl-3-(phenylsulfinyl)-2-propenyl]cyclopentanone
CAS Registry Number 114678-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-16(2,13-8-9-14(17)12-13)10-11-19(18)15-6-4-3-5-7-15/h3-7,10-11,13H,8-9,12H2,1-2H3/b11-10+/t13-,19?/m1/s1
InChIKey NFTSZMQLLGTLII-SUFJFEGRSA-N
Molecular Weight 276.394 g/mol
SMILES C(\C=C\[S@@](=O)c1ccccc1)([C@]1(CC(=O)CC1)[H])(C)C
SPLASH splash10-004j-0900000000-2ecac30fbdee88c6336f
Source of Spectrum C-110-5420-39
Wiley ID 1280103