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N-[5,7-bis(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide
SpectraBase Compound ID DxF6qwaZ8Kj
InChI InChI=1S/C26H23Cl2N5O2/c1-35-21-12-2-16(3-13-21)14-24(34)30-25-31-26-29-22(17-4-8-19(27)9-5-17)15-23(33(26)32-25)18-6-10-20(28)11-7-18/h2-13,22-23H,14-15H2,1H3,(H2,29,30,31,32,34)
InChIKey CKXCDANXSPCEHM-UHFFFAOYSA-N
Mol Weight 508.41 g/mol
Molecular Formula C26H23Cl2N5O2
Exact Mass 507.12288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8XnjJTpeQy
Name N-[5,7-bis(4-Chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-A]pyrimidin-2-yl]-2-(4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.122880399 u
Formula C26H23Cl2N5O2
InChI InChI=1S/C26H23Cl2N5O2/c1-35-21-12-2-16(3-13-21)14-24(34)30-25-31-26-29-22(17-4-8-19(27)9-5-17)15-23(33(26)32-25)18-6-10-20(28)11-7-18/h2-13,22-23H,14-15H2,1H3,(H2,29,30,31,32,34)
InChIKey CKXCDANXSPCEHM-UHFFFAOYSA-N
Molecular Weight 508.409 g/mol
SMILES N(C1=NN2C(=N1)NC(CC2C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl)C(=O)CC1=CC=C(C=C1)OC