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3-(2-chlorobenzyl)-6-(2-oxopropyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID IKQi7d58QRd
InChI InChI=1S/C14H12ClN5O2/c1-9(21)6-19-8-16-13-12(14(19)22)17-18-20(13)7-10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3
InChIKey KEWGPNCSJJXQHK-UHFFFAOYSA-N
Mol Weight 317.74 g/mol
Molecular Formula C14H12ClN5O2
Exact Mass 317.067952 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID r8pEJmi9vu
Name 3-(2-chlorobenzyl)-6-(2-oxopropyl)-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/C14H12ClN5O2/c1-9(21)6-19-8-16-13-12(14(19)22)17-18-20(13)7-10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3
InChIKey KEWGPNCSJJXQHK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14050
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-13/0134; UBI_ID: UBI-014053
Temperature 318 °C