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3-Chloro-2-ethoxypropyl benzyl sulfide

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

3-Chloro-2-ethoxypropyl benzyl sulfide
SpectraBase Compound ID 1XmRHxmAPTT
InChI InChI=1S/C12H17ClOS/c1-2-14-12(8-13)10-15-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey RCQNRWJDUOWQFL-UHFFFAOYSA-N
Mol Weight 244.78 g/mol
Molecular Formula C12H17ClOS
Exact Mass 244.068864 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 96UhRngJBow
Name 3-Chloro-2-ethoxypropyl benzyl sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.068864040 u
Formula C12H17ClOS
InChI InChI=1S/C12H17ClOS/c1-2-14-12(8-13)10-15-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey RCQNRWJDUOWQFL-UHFFFAOYSA-N
Molecular Weight 244.780 g/mol
SMILES C(SCC=1C=CC=CC1)C(OCC)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808207