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1-(Butylsulfinylmethyl)-4-(chloromethyl)benzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-(Butylsulfinylmethyl)-4-(chloromethyl)benzene
SpectraBase Compound ID 4e1PzFe9DCw
InChI InChI=1S/C12H17ClOS/c1-2-3-8-15(14)10-12-6-4-11(9-13)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKey GIIKBEPCKGKIRT-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 A2xLjp6j9rP
Name 1-(Butylsulfinylmethyl)-4-(chloromethyl)benzene
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/c1-2-3-8-15(14)10-12-6-4-11(9-13)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKey GIIKBEPCKGKIRT-UHFFFAOYSA-N
Molecular Weight 244.780 g/mol
SMILES C(Cl)C1=CC=C(C=C1)CS(=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843056