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(E)-Isoamylsulfinyl-2-phenylethene
SpectraBase Compound ID 7EFSUYStdno
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+
InChIKey RTSJOVXNNMEDMQ-PKNBQFBNSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Do3abObw0fS
Name (E)-Isoamylsulfinyl-2-phenylethene
CAS Registry Number 86394-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
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+
InChIKey RTSJOVXNNMEDMQ-PKNBQFBNSA-N
Molecular Weight 222.346 g/mol
SMILES c1(\C=C\S(=O)CCC(C)C)ccccc1
SPLASH splash10-0udi-1910000000-aa00a279222f3e72b953
Source of Spectrum O-18-23-1
Synonyms [(E)-2-(3-methylbutylsulfinyl)ethenyl]benzene [(E)-2-isoamylsulfinylvinyl]benzene [(E)-2-isopentylsulfinylvinyl]benzene
Wiley ID 1222467