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ethyl 7-(3-bromophenyl)-5-methyl-2-[(3-pyridinylmethyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

View entire compound with spectra: 1 NMR

ethyl 7-(3-bromophenyl)-5-methyl-2-[(3-pyridinylmethyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID A55Woarh8mw
InChI InChI=1S/C21H20BrN5O2S/c1-3-29-19(28)17-13(2)24-20-25-21(30-12-14-6-5-9-23-11-14)26-27(20)18(17)15-7-4-8-16(22)10-15/h4-11,18H,3,12H2,1-2H3,(H,24,25,26)
InChIKey ZZQZEAZXWHQKBD-UHFFFAOYSA-N
Mol Weight 486.39 g/mol
Molecular Formula C21H20BrN5O2S
Exact Mass 485.052109 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FY2S2vevM7R
Name ethyl 7-(3-bromophenyl)-5-methyl-2-[(3-pyridinylmethyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.052109076 u
Formula C21H20BrN5O2S
InChI InChI=1S/C21H20BrN5O2S/c1-3-29-19(28)17-13(2)24-20-25-21(30-12-14-6-5-9-23-11-14)26-27(20)18(17)15-7-4-8-16(22)10-15/h4-11,18H,3,12H2,1-2H3,(H,24,25,26)
InChIKey ZZQZEAZXWHQKBD-UHFFFAOYSA-N
Molecular Weight 486.388 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9894
Solvent DMSO-d6
Source Vendor ID: NMR/13238002