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3,7-Dimethyl-2(E),6-octadienyl(phenylthio)acetate
SpectraBase Compound ID I3hxvG9PS2h
InChI InChI=1S/C18H24O2S/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-21-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
InChIKey JGBCJWLYMRUSJZ-FOWTUZBSSA-N
Mol Weight 304.45 g/mol
Molecular Formula C18H24O2S
Exact Mass 304.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BH1dO5Fuw0g
Name 3,7-Dimethyl-2(E),6-octadienyl(phenylthio)acetate
CAS Registry Number 87519-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2S
InChI InChI=1S/C18H24O2S/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-21-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
InChIKey JGBCJWLYMRUSJZ-FOWTUZBSSA-N
Molecular Weight 304.448 g/mol
SMILES C(=O)(CSc1ccccc1)OC\C=C\(CCC=C(C)C)C
SPLASH splash10-01b9-9600000000-6f4b8d4b4c3f2d557da5
Source of Spectrum J-48-5012-0
Synonyms (2E)-3,7-dimethyl-2,6-octadienyl (phenylsulfanyl)acetate
Wiley ID 1306540