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2-[5,7-bis(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 1 NMR

2-[5,7-bis(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 3UIleg8KJ2g
InChI InChI=1S/C25H21Cl2N5O2/c26-16-9-5-14(6-10-16)20-13-21(15-7-11-17(27)12-8-15)32-24(28-20)29-25(30-32)31-22(33)18-3-1-2-4-19(18)23(31)34/h1-2,5-12,18-21H,3-4,13H2,(H,28,29,30)
InChIKey PDANSFPEHRKEIY-UHFFFAOYSA-N
Mol Weight 494.38 g/mol
Molecular Formula C25H21Cl2N5O2
Exact Mass 493.10723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JgcpjBsi1HL
Name 2-[5,7-bis(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H21Cl2N5O2/c26-16-9-5-14(6-10-16)20-13-21(15-7-11-17(27)12-8-15)32-24(28-20)29-25(30-32)31-22(33)18-3-1-2-4-19(18)23(31)34/h1-2,5-12,18-21H,3-4,13H2,(H,28,29,30)
InChIKey PDANSFPEHRKEIY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22435
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D59537; Labnumber: RRVCHEx-0334; SBI_ID: SBI-022439
Temperature 318 °C