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isopropyl 7-(3-chlorophenyl)-6-[(2,4-dimethylanilino)carbonyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

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isopropyl 7-(3-chlorophenyl)-6-[(2,4-dimethylanilino)carbonyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SpectraBase Compound ID 9WH8po3aMmV
InChI InChI=1S/C25H26ClN5O3/c1-13(2)34-24(33)22-29-25-27-16(5)20(23(32)28-19-10-9-14(3)11-15(19)4)21(31(25)30-22)17-7-6-8-18(26)12-17/h6-13,21H,1-5H3,(H,28,32)(H,27,29,30)
InChIKey XFZNYAKDOQPNTN-UHFFFAOYSA-N
Mol Weight 479.97 g/mol
Molecular Formula C25H26ClN5O3
Exact Mass 479.172417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F11yQ8Vinw6
Name isopropyl 7-(3-chlorophenyl)-6-[(2,4-dimethylanilino)carbonyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-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 479.172417414 u
Formula C25H26ClN5O3
InChI InChI=1S/C25H26ClN5O3/c1-13(2)34-24(33)22-29-25-27-16(5)20(23(32)28-19-10-9-14(3)11-15(19)4)21(31(25)30-22)17-7-6-8-18(26)12-17/h6-13,21H,1-5H3,(H,28,32)(H,27,29,30)
InChIKey XFZNYAKDOQPNTN-UHFFFAOYSA-N
Molecular Weight 479.968 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6695
Solvent DMSO-d6
Source Vendor ID: NMR/12329017