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FOETISULFIDE-A;(E)-3-METHYLSULFINYL-2-PROPENYL-SEC.-BUTYL-DISULFIDE
SpectraBase Compound ID CWRroxfATXp
InChI InChI=1S/C8H16OS3/c1-4-8(2)11-10-6-5-7-12(3)9/h5,7-8H,4,6H2,1-3H3/b7-5+
InChIKey MRLXFQWCSNFUCF-FNORWQNLSA-N
Mol Weight 224.39 g/mol
Molecular Formula C8H16OS3
Exact Mass 224.036329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lGPEKavxo
Name E-3-methylsulfinyl-2-propenyl sec-butyl disulfide
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16OS3
InChI InChI=1S/C8H16OS3/c1-4-8(2)11-10-6-5-7-12(3)9/h5,7-8H,4,6H2,1-3H3/b7-5+
InChIKey MRLXFQWCSNFUCF-FNORWQNLSA-N
Instrument Name JEOL DX-303 and SX-102A
Ionization Type EI
Literature Reference DOI 10.1021/np010541h
Molecular Weight 224.395 g/mol
Optical Rotation [a]D25 = -36.7 (c = 1.1, MeOH)
Reported Formula C8H16OS3
SMILES CS(=O)\C=C\CSSC(CC)C
SPLASH splash10-0hn1-7910000000-f779ebf31368c46f0efd
Source of Spectrum G4-65-1669-1
Synonyms Foetisulfide A
Wiley ID 1880991