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3-(1-Phenylethylamino)-5,5-dimethylcyclohex-2-en-1-thione

View entire compound with spectra: 1 FTIR

3-(1-Phenylethylamino)-5,5-dimethylcyclohex-2-en-1-thione
SpectraBase Compound ID EEyoTmKyjnP
InChI InChI=1S/C16H21NS/c1-12(13-7-5-4-6-8-13)17-14-9-15(18)11-16(2,3)10-14/h4-9,12,17H,10-11H2,1-3H3
InChIKey OBXGPMDTKLZYES-UHFFFAOYSA-N
Mol Weight 259.41 g/mol
Molecular Formula C16H21NS
Exact Mass 259.139471 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CRcrbTE7hHD
Name 3-(1-Phenylethylamino)-5,5-dimethylcyclohex-2-en-1-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.139470854 u
Formula C16H21NS
InChI InChI=1S/C16H21NS/c1-12(13-7-5-4-6-8-13)17-14-9-15(18)11-16(2,3)10-14/h4-9,12,17H,10-11H2,1-3H3
InChIKey OBXGPMDTKLZYES-UHFFFAOYSA-N
Molecular Weight 259.411 g/mol
SMILES C=1(CC(CC(C1)=S)(C)C)NC(C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809486