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ethyl 7-(4-bromophenyl)-2-[(3-chlorobenzyl)sulfanyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 1Q4BW6bYrgR
InChI InChI=1S/C22H20BrClN4O2S/c1-3-30-20(29)18-13(2)25-21-26-22(31-12-14-5-4-6-17(24)11-14)27-28(21)19(18)15-7-9-16(23)10-8-15/h4-11,19H,3,12H2,1-2H3,(H,25,26,27)
InChIKey UDBSXJNMQRVEJT-UHFFFAOYSA-N
Mol Weight 519.85 g/mol
Molecular Formula C22H20BrClN4O2S
Exact Mass 518.017888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 27Qs1BwMQi
Name ethyl 7-(4-bromophenyl)-2-[(3-chlorobenzyl)sulfanyl]-5-methyl-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 518.017887772 u
Formula C22H20BrClN4O2S
InChI InChI=1S/C22H20BrClN4O2S/c1-3-30-20(29)18-13(2)25-21-26-22(31-12-14-5-4-6-17(24)11-14)27-28(21)19(18)15-7-9-16(23)10-8-15/h4-11,19H,3,12H2,1-2H3,(H,25,26,27)
InChIKey UDBSXJNMQRVEJT-UHFFFAOYSA-N
Molecular Weight 519.845 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6676
Solvent DMSO-d6
Source Vendor ID: NMR/12328987