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trans-7-phenylthio-2-heptene

View entire compound with spectra: 1 MS (GC)

trans-7-phenylthio-2-heptene
SpectraBase Compound ID 9Lm0OESapQe
InChI InChI=1S/C13H18S/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h2-3,6-8,10-11H,4-5,9,12H2,1H3/b3-2+
InChIKey SMPBZZFZQURTAI-NSCUHMNNSA-N
Mol Weight 206.35 g/mol
Molecular Formula C13H18S
Exact Mass 206.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90uC7CoyyPw
Name trans-7-phenylthio-2-heptene
Alternate Name(s) (5E)-5-heptenyl phenyl sulfide [(5E)-5-heptenylsulfanyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S
InChI InChI=1S/C13H18S/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h2-3,6-8,10-11H,4-5,9,12H2,1H3/b3-2+
InChIKey SMPBZZFZQURTAI-NSCUHMNNSA-N
Molecular Weight 206.347 g/mol
SMILES C\C=C\CCCCSc1ccccc1
SPLASH splash10-0aor-9450000000-e03d1a53a8bc10c6cd6f
Source of Spectrum F-53-4303-18
Wiley ID 801241