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

View entire compound with spectra: 1 NMR

[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 2-[[(4-chlorophenyl)methyl]thio]-4,7-dihydro-5-methyl-7-(4-nitrophenyl)-, ethyl ester
SpectraBase Compound ID IFOo18QrJ44
InChI InChI=1S/C22H20ClN5O4S/c1-3-32-20(29)18-13(2)24-21-25-22(33-12-14-4-8-16(23)9-5-14)26-27(21)19(18)15-6-10-17(11-7-15)28(30)31/h4-11,19H,3,12H2,1-2H3,(H,24,25,26)
InChIKey VEZPJXCRXISNIH-UHFFFAOYSA-N
Mol Weight 485.95 g/mol
Molecular Formula C22H20ClN5O4S
Exact Mass 485.092453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DsJpuXHgicJ
Name [1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 2-[[(4-chlorophenyl)methyl]thio]-4,7-dihydro-5-methyl-7-(4-nitrophenyl)-, 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 485.092453014 u
Formula C22H20ClN5O4S
InChI InChI=1S/C22H20ClN5O4S/c1-3-32-20(29)18-13(2)24-21-25-22(33-12-14-4-8-16(23)9-5-14)26-27(21)19(18)15-6-10-17(11-7-15)28(30)31/h4-11,19H,3,12H2,1-2H3,(H,24,25,26)
InChIKey VEZPJXCRXISNIH-UHFFFAOYSA-N
Molecular Weight 485.946 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6592
Solvent DMSO-d6
Source Vendor ID: NMR/13289997