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2-[(4-chlorobenzyl)sulfanyl]-N-(4-chlorophenyl)-7-isopropyl-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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2-[(4-chlorobenzyl)sulfanyl]-N-(4-chlorophenyl)-7-isopropyl-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID D4iiTEhnym2
InChI InChI=1S/C23H23Cl2N5OS/c1-13(2)20-19(21(31)27-18-10-8-17(25)9-11-18)14(3)26-22-28-23(29-30(20)22)32-12-15-4-6-16(24)7-5-15/h4-11,13,20H,12H2,1-3H3,(H,27,31)(H,26,28,29)
InChIKey MFMSDWZYVKSDFY-UHFFFAOYSA-N
Mol Weight 488.44 g/mol
Molecular Formula C23H23Cl2N5OS
Exact Mass 487.100037 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GJrY3gT0w8d
Name 2-[(4-chlorobenzyl)sulfanyl]-N-(4-chlorophenyl)-7-isopropyl-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.100036954 u
Formula C23H23Cl2N5OS
InChI InChI=1S/C23H23Cl2N5OS/c1-13(2)20-19(21(31)27-18-10-8-17(25)9-11-18)14(3)26-22-28-23(29-30(20)22)32-12-15-4-6-16(24)7-5-15/h4-11,13,20H,12H2,1-3H3,(H,27,31)(H,26,28,29)
InChIKey MFMSDWZYVKSDFY-UHFFFAOYSA-N
Molecular Weight 488.437 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7991
Solvent DMSO-d6
Source Vendor ID: NMR/13218942