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2-[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-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-[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-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 Bsr0f5ZM5PU
InChI InChI=1S/C26H24ClN5O3/c1-35-18-12-8-15(9-13-18)21-14-22(16-6-10-17(27)11-7-16)32-25(28-21)29-26(30-32)31-23(33)19-4-2-3-5-20(19)24(31)34/h2-3,6-13,19-22H,4-5,14H2,1H3,(H,28,29,30)
InChIKey AEUJEVGHYFMSPF-UHFFFAOYSA-N
Mol Weight 489.96 g/mol
Molecular Formula C26H24ClN5O3
Exact Mass 489.156767 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHOxuCZikc9
Name 2-[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-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/C26H24ClN5O3/c1-35-18-12-8-15(9-13-18)21-14-22(16-6-10-17(27)11-7-16)32-25(28-21)29-26(30-32)31-23(33)19-4-2-3-5-20(19)24(31)34/h2-3,6-13,19-22H,4-5,14H2,1H3,(H,28,29,30)
InChIKey AEUJEVGHYFMSPF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3887
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: D99871; Labnumber: RRVCHEx-0555; SBI_ID: SBI-003889
Temperature 315 °C