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1-Ethyl-2-methyl-3-oxidanylidene-N-phenyl-piperazine-2-carbothioamide

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

1-Ethyl-2-methyl-3-oxidanylidene-N-phenyl-piperazine-2-carbothioamide
SpectraBase Compound ID 5SEPWbyG3bb
InChI InChI=1S/C14H19N3OS/c1-3-17-10-9-15-12(18)14(17,2)13(19)16-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKey RTYPNTCHRZABIP-UHFFFAOYSA-N
Mol Weight 277.39 g/mol
Molecular Formula C14H19N3OS
Exact Mass 277.124883 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5C2J2fx6OSD
Name 1-Ethyl-2-methyl-3-oxidanylidene-N-phenyl-piperazine-2-carbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.124883417 u
Formula C14H19N3OS
InChI InChI=1S/C14H19N3OS/c1-3-17-10-9-15-12(18)14(17,2)13(19)16-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKey RTYPNTCHRZABIP-UHFFFAOYSA-N
Molecular Weight 277.386 g/mol
SMILES C1(C(NC2=CC=CC=C2)=S)(C(NCCN1CC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896574