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5-Methylthioundeca-1,4(Z)-diene
SpectraBase Compound ID ALIjcYu0WJu
InChI InChI=1S/C12H22S/c1-4-6-8-9-11-12(13-3)10-7-5-2/h5,10H,2,4,6-9,11H2,1,3H3/b12-10-
InChIKey BDJAYTOCFPYTPB-BENRWUELSA-N
Mol Weight 198.37 g/mol
Molecular Formula C12H22S
Exact Mass 198.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuTm489l3Xb
Name 5-Methylthioundeca-1,4(Z)-diene
Alternate Name(s) (Z)-methyl(undeca-1,4-dien-5-yl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22S
InChI InChI=1S/C12H22S/c1-4-6-8-9-11-12(13-3)10-7-5-2/h5,10H,2,4,6-9,11H2,1,3H3/b12-10-
InChIKey BDJAYTOCFPYTPB-BENRWUELSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 198.368 g/mol
SMILES C(\C=C\(CCCCCC)SC)C=C
SPLASH splash10-001i-5900000000-feb7ed5adc6e5132abf0
Source of Spectrum A1-9-263/SMS8-3ab
Wiley ID 1757747