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alpha-(mesitylthio)-N-methyl-p-toluidine

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

alpha-(mesitylthio)-N-methyl-p-toluidine
SpectraBase Compound ID CX5cIm7q9uC
InChI InChI=1S/C17H21NS/c1-12-9-13(2)17(14(3)10-12)19-11-15-5-7-16(18-4)8-6-15/h5-10,18H,11H2,1-4H3
InChIKey QPNKYACCWHNYSN-UHFFFAOYSA-N
Mol Weight 271.42 g/mol
Molecular Formula C17H21NS
Exact Mass 271.139471 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KIxvR0UVNXS
Name alpha-(Mesitylthio)-N-methyl-p-toluidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.139470854 u
Formula C17H21NS
InChI InChI=1S/C17H21NS/c1-12-9-13(2)17(14(3)10-12)19-11-15-5-7-16(18-4)8-6-15/h5-10,18H,11H2,1-4H3
InChIKey QPNKYACCWHNYSN-UHFFFAOYSA-N
Molecular Weight 271.422 g/mol
SMILES N(C=1C=CC(CSC2=C(C=C(C=C2C)C)C)=CC1)C
Spectrum/Structure Validation Score (Raman) 0.854294