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(1E)-1-(phenylsulfanylmethyl)cyclododecene

View entire compound with spectra: 1 MS (GC)

(1E)-1-(phenylsulfanylmethyl)cyclododecene
SpectraBase Compound ID CIthCNOzedY
InChI InChI=1S/C19H28S/c1-2-4-6-9-13-18(14-10-7-5-3-1)17-20-19-15-11-8-12-16-19/h8,11-13,15-16H,1-7,9-10,14,17H2/b18-13+
InChIKey WXBLMMISLGHSLQ-QGOAFFKASA-N
Mol Weight 288.49 g/mol
Molecular Formula C19H28S
Exact Mass 288.191172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyACDVgvAhP
Name (1E)-1-(phenylsulfanylmethyl)cyclododecene
CAS Registry Number 125335-04-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28S
InChI InChI=1S/C19H28S/c1-2-4-6-9-13-18(14-10-7-5-3-1)17-20-19-15-11-8-12-16-19/h8,11-13,15-16H,1-7,9-10,14,17H2/b18-13+
InChIKey WXBLMMISLGHSLQ-QGOAFFKASA-N
Molecular Weight 288.493 g/mol
SMILES C1\C=C/(CCCCCCCCC1)CSc1ccccc1
SPLASH splash10-0a4j-9300000000-3e3997585718840984c1
Source of Spectrum KC-1989-308-14
Synonyms (1E)-1-[(phenylthio)methyl]cyclododecene
Wiley ID 1292132