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4-Phenyl-1-piperazinebutanethioamide

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

4-Phenyl-1-piperazinebutanethioamide
SpectraBase Compound ID Fqvsm9JX9XJ
InChI InChI=1S/C14H21N3S/c15-14(18)7-4-8-16-9-11-17(12-10-16)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H2,15,18)
InChIKey AJEVZTHSTKHGJW-UHFFFAOYSA-N
Mol Weight 263.4 g/mol
Molecular Formula C14H21N3S
Exact Mass 263.145619 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2vULlJVBtiD
Name 4-Phenyl-1-piperazinebutanethioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.145618862 u
Formula C14H21N3S
InChI InChI=1S/C14H21N3S/c15-14(18)7-4-8-16-9-11-17(12-10-16)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H2,15,18)
InChIKey AJEVZTHSTKHGJW-UHFFFAOYSA-N
Molecular Weight 263.403 g/mol
SMILES C1N(CCN(C1)CCCC(=S)N)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89965