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Syn-Methyl 2-(1-Hydroxypropyl)-4-methylpent-4-enedithioate isomer
SpectraBase Compound ID 6uw8bZ788gN
InChI InChI=1S/C10H18OS2/c1-5-9(11)8(6-7(2)3)10(12)13-4/h8-9,11H,2,5-6H2,1,3-4H3/t8-,9?/m0/s1
InChIKey ZXDWQLMNECCJTR-IENPIDJESA-N
Mol Weight 218.37 g/mol
Molecular Formula C10H18OS2
Exact Mass 218.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Chvjx6ARtTQ
Name Syn-Methyl 2-(1-Hydroxypropyl)-4-methylpent-4-enedithioate isomer
Alternate Name(s) Methyl (2S)-2-(1-hydroxypropyl)-4-methyl-4-pentenedithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18OS2
InChI InChI=1S/C10H18OS2/c1-5-9(11)8(6-7(2)3)10(12)13-4/h8-9,11H,2,5-6H2,1,3-4H3/t8-,9?/m0/s1
InChIKey ZXDWQLMNECCJTR-IENPIDJESA-N
Molecular Weight 218.373 g/mol
SMILES OC([C@@](C(=S)SC)(CC(=C)C)[H])CC
SPLASH splash10-0axs-9700000000-f7cd8eb1e425bc0c00d4
Source of Spectrum F-47-6284-40
Wiley ID 1217236