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2(1-Phenylethylamino)-pent-2-en-4-thion

View entire compound with spectra: 1 FTIR

2(1-Phenylethylamino)-pent-2-en-4-thion
SpectraBase Compound ID D1bptZc4ZQZ
InChI InChI=1S/C13H17NS/c1-10(9-11(2)15)14-12(3)13-7-5-4-6-8-13/h4-9,12,14H,1-3H3/b10-9+
InChIKey NWVUJHIKQCYLAA-MDZDMXLPSA-N
Mol Weight 219.35 g/mol
Molecular Formula C13H17NS
Exact Mass 219.108171 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5b0iQrSZCvs
Name 2(1-Phenylethylamino)-pent-2-en-4-thion
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.108170725 u
Formula C13H17NS
InChI InChI=1S/C13H17NS/c1-10(9-11(2)15)14-12(3)13-7-5-4-6-8-13/h4-9,12,14H,1-3H3/b10-9+
InChIKey NWVUJHIKQCYLAA-MDZDMXLPSA-N
Molecular Weight 219.346 g/mol
SMILES CC(=S)\C=C/(NC(C1=CC=CC=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858181