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5-Butyl-4,4-dimethyl-2-phenyl-1,3-thiazole-5-thiol

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

5-Butyl-4,4-dimethyl-2-phenyl-1,3-thiazole-5-thiol
SpectraBase Compound ID 15eccq04svu
InChI InChI=1S/C15H21NS2/c1-4-5-11-15(17)14(2,3)16-13(18-15)12-9-7-6-8-10-12/h6-10,17H,4-5,11H2,1-3H3
InChIKey SRRGZQBENQXBHO-UHFFFAOYSA-N
Mol Weight 279.46 g/mol
Molecular Formula C15H21NS2
Exact Mass 279.111542 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2ZbgFbzQNpV
Name 5-Butyl-4,4-dimethyl-2-phenyl-1,3-thiazole-5-thiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.111542028 u
Formula C15H21NS2
InChI InChI=1S/C15H21NS2/c1-4-5-11-15(17)14(2,3)16-13(18-15)12-9-7-6-8-10-12/h6-10,17H,4-5,11H2,1-3H3
InChIKey SRRGZQBENQXBHO-UHFFFAOYSA-N
SMILES C=1(SC(C(N1)(C)C)(S)CCCC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936597