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2-[5-(4-methylphenyl)-7-phenyl-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

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2-[5-(4-methylphenyl)-7-phenyl-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 53fcCsa5vMN
InChI InChI=1S/C26H25N5O2/c1-16-11-13-17(14-12-16)21-15-22(18-7-3-2-4-8-18)31-25(27-21)28-26(29-31)30-23(32)19-9-5-6-10-20(19)24(30)33/h2-8,11-14,19-22H,9-10,15H2,1H3,(H,27,28,29)
InChIKey OCUDQRFWECVJDI-UHFFFAOYSA-N
Mol Weight 439.52 g/mol
Molecular Formula C26H25N5O2
Exact Mass 439.200825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8vBrMf267bY
Name 2-[5-(4-methylphenyl)-7-phenyl-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/C26H25N5O2/c1-16-11-13-17(14-12-16)21-15-22(18-7-3-2-4-8-18)31-25(27-21)28-26(29-31)30-23(32)19-9-5-6-10-20(19)24(30)33/h2-8,11-14,19-22H,9-10,15H2,1H3,(H,27,28,29)
InChIKey OCUDQRFWECVJDI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22449
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: D59557; Labnumber: RRVCHEx-0690; SBI_ID: SBI-022453
Temperature 318 °C