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3-(4-Allyl-3-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile

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

3-(4-Allyl-3-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile
SpectraBase Compound ID 5jgDiB36okb
InChI InChI=1S/C14H14N4S/c1-2-10-17-13(12-7-4-3-5-8-12)16-18(14(17)19)11-6-9-15/h2-5,7-8H,1,6,10-11H2
InChIKey KXDYDNWVFZVDPC-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C14H14N4S
Exact Mass 270.093918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ZO4141aVhd
Name 1H-1,2,4-triazole-1-propanenitrile, 4,5-dihydro-3-phenyl-4-(2-propenyl)-5-thioxo-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H14N4S/c1-2-10-17-13(12-7-4-3-5-8-12)16-18(14(17)19)11-6-9-15/h2-5,7-8H,1,6,10-11H2
InChIKey KXDYDNWVFZVDPC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7178
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/4010381; Labnumber: QK786; IOH_ID: IOH-014182