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[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-2-[[(2-methylphenyl)methyl]thio]-7-(2-thienyl)-, ethyl ester

View entire compound with spectra: 1 NMR

[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-2-[[(2-methylphenyl)methyl]thio]-7-(2-thienyl)-, ethyl ester
SpectraBase Compound ID 6IThYSUSkxj
InChI InChI=1S/C21H22N4O2S2/c1-4-27-19(26)17-14(3)22-20-23-21(29-12-15-9-6-5-8-13(15)2)24-25(20)18(17)16-10-7-11-28-16/h5-11,18H,4,12H2,1-3H3,(H,22,23,24)
InChIKey YZIOQLXJIUEKFW-UHFFFAOYSA-N
Mol Weight 426.55 g/mol
Molecular Formula C21H22N4O2S2
Exact Mass 426.118418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JoqkggLMooH
Name [1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-2-[[(2-methylphenyl)methyl]thio]-7-(2-thienyl)-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.118418310 u
Formula C21H22N4O2S2
InChI InChI=1S/C21H22N4O2S2/c1-4-27-19(26)17-14(3)22-20-23-21(29-12-15-9-6-5-8-13(15)2)24-25(20)18(17)16-10-7-11-28-16/h5-11,18H,4,12H2,1-3H3,(H,22,23,24)
InChIKey YZIOQLXJIUEKFW-UHFFFAOYSA-N
Molecular Weight 426.553 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_841
Solvent DMSO-d6
Source Vendor ID: NMR/13239305