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(1'R,2'E,3SR,4RS,RsSs) 3-(1,1-dimethylethoxy)-4-[1'-methyl-3'-(phenylsulfinyl)prop-2'-enyl]cyclopentanone
SpectraBase Compound ID HCa6vwwkOhq
InChI InChI=1S/C19H26O3S/c1-14(10-11-23(21)16-8-6-5-7-9-16)17-12-15(20)13-18(17)22-19(2,3)4/h5-11,14,17-18H,12-13H2,1-4H3/b11-10+
InChIKey CRTFJVJVKNEGDZ-ZHACJKMWSA-N
Mol Weight 334.47 g/mol
Molecular Formula C19H26O3S
Exact Mass 334.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvojJKzLl77
Name (1'R,2'E,3SR,4RS,RsSs) 3-(1,1-dimethylethoxy)-4-[1'-methyl-3'-(phenylsulfinyl)prop-2'-enyl]cyclopentanone
Alternate Name(s) 3-tert-Butoxy-4-[(2E)-1-methyl-3-(phenylsulfinyl)-2-propenyl]cyclopentanone
CAS Registry Number 114678-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3S
InChI InChI=1S/C19H26O3S/c1-14(10-11-23(21)16-8-6-5-7-9-16)17-12-15(20)13-18(17)22-19(2,3)4/h5-11,14,17-18H,12-13H2,1-4H3/b11-10+
InChIKey CRTFJVJVKNEGDZ-ZHACJKMWSA-N
Molecular Weight 334.474 g/mol
SMILES C1(C(CC(C1)=O)C(\C=C\S(=O)c1ccccc1)C)OC(C)(C)C
SPLASH splash10-08fr-5981000000-fb672dea3497420a4e33
Source of Spectrum C-110-5418-27
Wiley ID 1330954