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ethyl [3-(4-fluorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
SpectraBase Compound ID t1Jb4IsNI
InChI InChI=1S/C15H14FN5O3/c1-2-24-12(22)8-20-9-17-14-13(15(20)23)18-19-21(14)7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKey BJFBCABPIKLABR-UHFFFAOYSA-N
Mol Weight 331.31 g/mol
Molecular Formula C15H14FN5O3
Exact Mass 331.108067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FuJHr9KdyB2
Name ethyl [3-(4-fluorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
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/C15H14FN5O3/c1-2-24-12(22)8-20-9-17-14-13(15(20)23)18-19-21(14)7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKey BJFBCABPIKLABR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14049
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-13/0133; UBI_ID: UBI-014052
Temperature 318 °C