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2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-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-(4-chlorophenyl)-7-(4-methylphenyl)-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 DvYVoTLOnbV
InChI InChI=1S/C26H24ClN5O2/c1-15-6-8-17(9-7-15)22-14-21(16-10-12-18(27)13-11-16)28-25-29-26(30-32(22)25)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 GJFXGDYIUYRCHK-UHFFFAOYSA-N
Mol Weight 473.96 g/mol
Molecular Formula C26H24ClN5O2
Exact Mass 473.161853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DLVipCkwYD7
Name 2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-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/C26H24ClN5O2/c1-15-6-8-17(9-7-15)22-14-21(16-10-12-18(27)13-11-16)28-25-29-26(30-32(22)25)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 GJFXGDYIUYRCHK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10318
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: D79351; Labnumber: RRVCHEx-0664; SBI_ID: SBI-010321
Temperature 306 °C