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{[4-(p-chlorophenyl)-5-hydroxy-4H-1,2,4-triazol-3-yl]thio}acetonitrile, O-ester with O,O-diethyl phosphorothioate

View entire compound with spectra: 3 NMR, and 1 FTIR

{[4-(p-chlorophenyl)-5-hydroxy-4H-1,2,4-triazol-3-yl]thio}acetonitrile, O-ester with O,O-diethyl phosphorothioate
SpectraBase Compound ID G0iox4d0YJY
InChI InChI=1S/C14H16ClN4O3PS2/c1-3-20-23(24,21-4-2)22-13-17-18-14(25-10-9-16)19(13)12-7-5-11(15)6-8-12/h5-8H,3-4,10H2,1-2H3
InChIKey QSVVARLCGOVTAM-UHFFFAOYSA-N
Mol Weight 418.85 g/mol
Molecular Formula C14H16ClN4O3PS2
Exact Mass 418.008997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3VGGhzBaUeY
Name {[4-(p-CHLOROPHENYL)-5-HYDROXY-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETONITRILE, O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClN4O3PS2
InChI InChI=1S/C14H16ClN4O3PS2/c1-3-20-23(24,21-4-2)22-13-17-18-14(25-10-9-16)19(13)12-7-5-11(15)6-8-12/h5-8H,3-4,10H2,1-2H3
InChIKey QSVVARLCGOVTAM-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 418.86
Solvent CDCl3; Reference=TMS; Temperature 297K