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2-[3-(Benzylthio)propyl)-1,3-dioxolane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6ITKB76pHH1
Name 2-[3-(Benzylthio)propyl)-1,3-dioxolane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.102750992 u
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)CCCSCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948457