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Methyl (3S,1'S)-3-(1-phenylmethoxyethyl)-4-methyl-4-pentenedithioate
SpectraBase Compound ID Lvw5uU5VZAF
InChI InChI=1S/C16H22OS2/c1-12(2)15(10-16(18)19-4)13(3)17-11-14-8-6-5-7-9-14/h5-9,13,15H,1,10-11H2,2-4H3/t13-,15-/m0/s1
InChIKey QQQYDOQPSHGMHQ-ZFWWWQNUSA-N
Mol Weight 294.47 g/mol
Molecular Formula C16H22OS2
Exact Mass 294.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LZOa9HJCy3
Name Methyl (3S,1'S)-3-(1-phenylmethoxyethyl)-4-methyl-4-pentenedithioate
Alternate Name(s) Methyl (3S)-3-[(1S)-1-(benzyloxy)ethyl]-4-methyl-4-pentenedithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS2
InChI InChI=1S/C16H22OS2/c1-12(2)15(10-16(18)19-4)13(3)17-11-14-8-6-5-7-9-14/h5-9,13,15H,1,10-11H2,2-4H3/t13-,15-/m0/s1
InChIKey QQQYDOQPSHGMHQ-ZFWWWQNUSA-N
Molecular Weight 294.471 g/mol
SMILES [C@](C(=C)C)(CC(=S)SC)([C@@](OCc1ccccc1)(C)[H])[H]
SPLASH splash10-0006-9200000000-be3aaa05c444e583767e
Source of Spectrum F-48-10337-11
Wiley ID 1297094