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2-[3-(Benzylthio)propyl)-1,3-dioxolane
SpectraBase Compound ID XB45ZKQTok
InChI InChI=1S/C13H18O2S/c1-2-5-12(6-3-1)11-16-10-4-7-13-14-8-9-15-13/h1-3,5-6,13H,4,7-11H2
InChIKey LQEGUVBYURKLFS-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NvkAmOOeA1
Name 2-[3-(Benzylthio)propyl)-1,3-dioxolane
Alternate Name(s) 2-[3-(benzylsulfanyl)propyl]-1,3-dioxolane benzyl 3-(1,3-dioxolan-2-yl)propyl sulfide
CAS Registry Number 129847-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-2-5-12(6-3-1)11-16-10-4-7-13-14-8-9-15-13/h1-3,5-6,13H,4,7-11H2
InChIKey LQEGUVBYURKLFS-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C1(OCCO1)CCCSCc1ccccc1
SPLASH splash10-0007-9400000000-7d814a88bad5dd3d9664
Source of Spectrum J-56-3829-22
Wiley ID 1240440