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2-(Chloromethyl)-3-tosyl-1,5-hexadiene

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

2-(Chloromethyl)-3-tosyl-1,5-hexadiene
SpectraBase Compound ID IzqeCGSgKxO
InChI InChI=1S/C14H17ClO2S/c1-4-5-14(12(3)10-15)18(16,17)13-8-6-11(2)7-9-13/h4,6-9,14H,1,3,5,10H2,2H3
InChIKey KUKHFHGCSPQJMT-UHFFFAOYSA-N
Mol Weight 284.8 g/mol
Molecular Formula C14H17ClO2S
Exact Mass 284.063779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4zF5bN1MZ1C
Name 2-(Chloromethyl)-3-tosyl-1,5-hexadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.063778659 u
Formula C14H17ClO2S
InChI InChI=1S/C14H17ClO2S/c1-4-5-14(12(3)10-15)18(16,17)13-8-6-11(2)7-9-13/h4,6-9,14H,1,3,5,10H2,2H3
InChIKey KUKHFHGCSPQJMT-UHFFFAOYSA-N
SMILES C(S(C=1C=CC(=CC1)C)(=O)=O)(C(=C)CCl)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953471