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3-(4-methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 9XDhVyqSFwF
InChI InChI=1S/C17H13N5O3S/c1-25-14-8-2-11(3-9-14)10-15-18-19-17-21(15)20-16(26-17)12-4-6-13(7-5-12)22(23)24/h2-9H,10H2,1H3
InChIKey JIGKQVLEQPNFPC-UHFFFAOYSA-N
Mol Weight 367.38 g/mol
Molecular Formula C17H13N5O3S
Exact Mass 367.07391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9UU93wLZJwi
Name 3-(4-methoxybenzyl)-6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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/C17H13N5O3S/c1-25-14-8-2-11(3-9-14)10-15-18-19-17-21(15)20-16(26-17)12-4-6-13(7-5-12)22(23)24/h2-9H,10H2,1H3
InChIKey JIGKQVLEQPNFPC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35488
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: E91087; SBI_ID: SBI-035492
Synonyms methyl 4-{[6-(4-nitrophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}phenyl ether
Temperature 308 °C