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[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(3-nitrophenyl)-2-[(phenylmethyl)thio]-, 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-7-(3-nitrophenyl)-2-[(phenylmethyl)thio]-, ethyl ester
SpectraBase Compound ID 6YZrEFb3EtU
InChI InChI=1S/C22H21N5O4S/c1-3-31-20(28)18-14(2)23-21-24-22(32-13-15-8-5-4-6-9-15)25-26(21)19(18)16-10-7-11-17(12-16)27(29)30/h4-12,19H,3,13H2,1-2H3,(H,23,24,25)
InChIKey OOODOQDCWQCEFS-UHFFFAOYSA-N
Mol Weight 451.5 g/mol
Molecular Formula C22H21N5O4S
Exact Mass 451.131425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KlEim1ysGYu
Name [1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(3-nitrophenyl)-2-[(phenylmethyl)thio]-, 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 451.131425346 u
Formula C22H21N5O4S
InChI InChI=1S/C22H21N5O4S/c1-3-31-20(28)18-14(2)23-21-24-22(32-13-15-8-5-4-6-9-15)25-26(21)19(18)16-10-7-11-17(12-16)27(29)30/h4-12,19H,3,13H2,1-2H3,(H,23,24,25)
InChIKey OOODOQDCWQCEFS-UHFFFAOYSA-N
Molecular Weight 451.501 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_838
Solvent DMSO-d6
Source Vendor ID: NMR/13239299