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4-(p-(Dimethylamino)phenyl)-3-buten-2-one thiosemicarbazone

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(p-(Dimethylamino)phenyl)-3-buten-2-one thiosemicarbazone
SpectraBase Compound ID GWmS3mQtbAO
InChI InChI=1S/C13H18N4S/c1-10(15-16-13(14)18)4-5-11-6-8-12(9-7-11)17(2)3/h4-9H,1-3H3,(H3,14,16,18)/b5-4+,15-10+
InChIKey NWKAPIHJDZDGMQ-DPTKGTOLSA-N
Mol Weight 262.38 g/mol
Molecular Formula C13H18N4S
Exact Mass 262.125218 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BYeMprCRkow
Name 4-(p-(Dimethylamino)phenyl)-3-buten-2-one thiosemicarbazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.125217770 u
Formula C13H18N4S
InChI InChI=1S/C13H18N4S/c1-10(15-16-13(14)18)4-5-11-6-8-12(9-7-11)17(2)3/h4-9H,1-3H3,(H3,14,16,18)/b5-4+,15-10+
InChIKey NWKAPIHJDZDGMQ-DPTKGTOLSA-N
SMILES C1=C(C=CC(=C1)N(C)C)\C=C\C(=N\NC(N)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936123