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1,5,9-Cyclododecatriene, 3-[(phenylthio)methyl]-, (E,E,E)-
SpectraBase Compound ID IUrs4es2HzH
InChI InChI=1S/C19H24S/c1-2-4-6-9-13-18(14-10-7-5-3-1)17-20-19-15-11-8-12-16-19/h1-2,7-13,15-16,18H,3-6,14,17H2/b2-1+,10-7+,13-9+
InChIKey BICPIQRJQMDASM-WBKHEZLMSA-N
Mol Weight 284.46 g/mol
Molecular Formula C19H24S
Exact Mass 284.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CG3crjGv9up
Name 1,5,9-Cyclododecatriene, 3-[(phenylthio)methyl]-, (E,E,E)-
CAS Registry Number 98700-20-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24S
InChI InChI=1S/C19H24S/c1-2-4-6-9-13-18(14-10-7-5-3-1)17-20-19-15-11-8-12-16-19/h1-2,7-13,15-16,18H,3-6,14,17H2/b2-1+,10-7+,13-9+
InChIKey BICPIQRJQMDASM-WBKHEZLMSA-N
Molecular Weight 284.461 g/mol
SMILES C(Sc1ccccc1)C1\C=C\CC\C=C\CC\C=C\C1
SPLASH splash10-07fu-9810000000-d3f7f074772da5a70239
Source of Spectrum K-118-2338-10
Synonyms 2,6,10-cyclododecatrien-1-ylmethyl phenyl sulfide 3-[(phenylsulfanyl)methyl]-1,5,9-cyclododecatriene 3-[(phenylthio)methyl]-all-trans-1,5,9-cyclododecatrien
Wiley ID 1288477