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2-Methyl-4-(3- methylbutyl)-3-phenylthiohepta-1,3(Z),6-triene
SpectraBase Compound ID aF0pKblkmb
InChI InChI=1S/C19H26S/c1-6-10-17(14-13-15(2)3)19(16(4)5)20-18-11-8-7-9-12-18/h6-9,11-12,15H,1,4,10,13-14H2,2-3,5H3/b19-17+
InChIKey DQWJRRJCGQVDCB-HTXNQAPBSA-N
Mol Weight 286.48 g/mol
Molecular Formula C19H26S
Exact Mass 286.175522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42Z9VMPMB81
Name 2-Methyl-4-(3- methylbutyl)-3-phenylthiohepta-1,3(Z),6-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26S
InChI InChI=1S/C19H26S/c1-6-10-17(14-13-15(2)3)19(16(4)5)20-18-11-8-7-9-12-18/h6-9,11-12,15H,1,4,10,13-14H2,2-3,5H3/b19-17+
InChIKey DQWJRRJCGQVDCB-HTXNQAPBSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 286.477 g/mol
SMILES C(C\C(CCC(C)C)=C\(Sc1ccccc1)C(=C)C)=C
SPLASH splash10-0a4i-4390000000-639c4a50d6bdad43d84c
Source of Spectrum A1-9-263/SMS7-4sa
Synonyms (Z)-(4-allyl-2,7-dimethylocta-1,3-dien-3-yl)(phenyl)sulfane
Wiley ID 1757777