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3-(4-chlorobenzyl)-6-methyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 6DcPquFoAXN
InChI InChI=1S/C12H10ClN5O/c1-17-7-14-11-10(12(17)19)15-16-18(11)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKey AZPCOMBXHGPRDE-UHFFFAOYSA-N
Mol Weight 275.7 g/mol
Molecular Formula C12H10ClN5O
Exact Mass 275.057388 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8axPQHcjjjX
Name 3-(4-chlorobenzyl)-6-methyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
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/C12H10ClN5O/c1-17-7-14-11-10(12(17)19)15-16-18(11)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKey AZPCOMBXHGPRDE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14048
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: MAY-13/0132; UBI_ID: UBI-014051
Temperature 318 °C