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2-Propanol, 1-(phenylthio)-3-[[3-(phenylthio)-2-propenyl]oxy]-, (E)-
SpectraBase Compound ID CEWGCOorb6n
InChI InChI=1S/C18H20O2S2/c19-16(15-22-18-10-5-2-6-11-18)14-20-12-7-13-21-17-8-3-1-4-9-17/h1-11,13,16,19H,12,14-15H2/b13-7+
InChIKey JNRRMHQBSKNDFN-NTUHNPAUSA-N
Mol Weight 332.48 g/mol
Molecular Formula C18H20O2S2
Exact Mass 332.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HwEqRbKqMx
Name 2-Propanol, 1-(phenylthio)-3-[[3-(phenylthio)-2-propenyl]oxy]-, (E)-
Alternate Name(s) 1-(Phenylsulfanyl)-3-{[(2E)-3-(phenylsulfanyl)-2-propenyl]oxy}-2-propanol trans-1,7-bis(phenylthio)-4-oxa-6-hepten-2-ol
CAS Registry Number 108788-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2S2
InChI InChI=1S/C18H20O2S2/c19-16(15-22-18-10-5-2-6-11-18)14-20-12-7-13-21-17-8-3-1-4-9-17/h1-11,13,16,19H,12,14-15H2/b13-7+
InChIKey JNRRMHQBSKNDFN-NTUHNPAUSA-N
Molecular Weight 332.476 g/mol
SMILES OC(CSc1ccccc1)COC\C=C\Sc1ccccc1
SPLASH splash10-01i1-0900000000-38548f85dc15d51f4ae4
Source of Spectrum AJ-60-671-11
Wiley ID 1329319