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Benzene, [2-[(3-methylbutyl-3-d)sulfinyl]ethenyl]-, (Z)-
SpectraBase Compound ID 3rPwuYkAc7W
InChI InChI=1S/C13H18OS/c1-12(2)8-10-15(14)11-9-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3/b11-9-/i12D
InChIKey RTSJOVXNNMEDMQ-JMCDEUBSSA-N
Mol Weight 223.35 g/mol
Molecular Formula C13H172DOS
Exact Mass 223.114113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kYtvgLAmpH
Name Benzene, [2-[(3-methylbutyl-3-d)sulfinyl]ethenyl]-, (Z)-
Alternate Name(s) (Z)-1-[3-methyl-3-(deuterio)butanesulfinyl]-2-phenylethylene
CAS Registry Number 124469-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17DOS
InChI InChI=1S/C13H18OS/c1-12(2)8-10-15(14)11-9-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3/b11-9-/i12D
InChIKey RTSJOVXNNMEDMQ-JMCDEUBSSA-N
Molecular Weight 223.352 g/mol
SMILES c1(\C=C/S(=O)CCC(C)(C)[2D])ccccc1
SPLASH splash10-0udi-0900000000-77b6c805c6fc745c011d
Source of Spectrum O-24-340-3
Wiley ID 1222489