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2,6-Diethyl-4'-isopropylthiocarbanilide

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

2,6-Diethyl-4'-isopropylthiocarbanilide
SpectraBase Compound ID 91FpbLNeGRP
InChI InChI=1S/C20H26N2S/c1-5-15-8-7-9-16(6-2)19(15)22-20(23)21-18-12-10-17(11-13-18)14(3)4/h7-14H,5-6H2,1-4H3,(H2,21,22,23)
InChIKey MHEGXGNHLDGASJ-UHFFFAOYSA-N
Mol Weight 326.5 g/mol
Molecular Formula C20H26N2S
Exact Mass 326.18167 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2nIssWr2IUs
Name 2,6-Diethyl-4'-isopropylthiocarbanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.181670019 u
Formula C20H26N2S
InChI InChI=1S/C20H26N2S/c1-5-15-8-7-9-16(6-2)19(15)22-20(23)21-18-12-10-17(11-13-18)14(3)4/h7-14H,5-6H2,1-4H3,(H2,21,22,23)
InChIKey MHEGXGNHLDGASJ-UHFFFAOYSA-N
Molecular Weight 326.502 g/mol
SMILES N(C1=CC=C(C=C1)C(C)C)C(NC=1C(=CC=CC1CC)CC)=S
Spectrum/Structure Validation Score (Raman) 0.886492