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m-[(2,3,4,5,6-Pentamethylbenzyl)thio]aniline

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

m-[(2,3,4,5,6-Pentamethylbenzyl)thio]aniline
SpectraBase Compound ID 8TWfop7HWy9
InChI InChI=1S/C18H23NS/c1-11-12(2)14(4)18(15(5)13(11)3)10-20-17-8-6-7-16(19)9-17/h6-9H,10,19H2,1-5H3
InChIKey DIZLTAYKCCEBIO-UHFFFAOYSA-N
Mol Weight 285.45 g/mol
Molecular Formula C18H23NS
Exact Mass 285.155121 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BfDRYXzt686
Name m-[(2,3,4,5,6-Pentamethylbenzyl)thio]aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.155120919 u
Formula C18H23NS
InChI InChI=1S/C18H23NS/c1-11-12(2)14(4)18(15(5)13(11)3)10-20-17-8-6-7-16(19)9-17/h6-9H,10,19H2,1-5H3
InChIKey DIZLTAYKCCEBIO-UHFFFAOYSA-N
Molecular Weight 285.449 g/mol
SMILES NC1=CC(SCC2=C(C(=C(C(=C2C)C)C)C)C)=CC=C1
Spectrum/Structure Validation Score (Raman) 0.77849