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2-Hexyl-1-phenylthiopenta-1(Z),4-diene
SpectraBase Compound ID KAFyvIFVZo5
InChI InChI=1S/C17H24S/c1-3-5-6-8-12-16(11-4-2)15-18-17-13-9-7-10-14-17/h4,7,9-10,13-15H,2-3,5-6,8,11-12H2,1H3/b16-15+
InChIKey UUQORYNRZKCBNW-FOCLMDBBSA-N
Mol Weight 260.44 g/mol
Molecular Formula C17H24S
Exact Mass 260.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QqrAlbqyF
Name 2-Hexyl-1-phenylthiopenta-1(Z),4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24S
InChI InChI=1S/C17H24S/c1-3-5-6-8-12-16(11-4-2)15-18-17-13-9-7-10-14-17/h4,7,9-10,13-15H,2-3,5-6,8,11-12H2,1H3/b16-15+
InChIKey UUQORYNRZKCBNW-FOCLMDBBSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 260.439 g/mol
SMILES C(\C(CCCCCC)=C/Sc1ccccc1)C=C
SPLASH splash10-07fv-9520000000-7e79e0ab5913f9a20096
Source of Spectrum A1-9-263/SMS2-4aa
Synonyms (Z)-(2-allyloct-1-en-1-yl)(phenyl)sulfane
Wiley ID 1757767