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5-(4-chlorophenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

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5-(4-chlorophenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
SpectraBase Compound ID 97PQyLUpyuB
InChI InChI=1S/C27H21ClN6O3/c28-19-11-13-20(14-12-19)33-26(36)24-25(27(33)37)32(31-29-24)16-23(35)34-22(18-9-5-2-6-10-18)15-21(30-34)17-7-3-1-4-8-17/h1-14,22,24-25H,15-16H2
InChIKey NZWVFGJVACVBKI-UHFFFAOYSA-N
Mol Weight 512.96 g/mol
Molecular Formula C27H21ClN6O3
Exact Mass 512.136366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ITIvBtbjkyt
Name 5-(4-chlorophenyl)-1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-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/C27H21ClN6O3/c28-19-11-13-20(14-12-19)33-26(36)24-25(27(33)37)32(31-29-24)16-23(35)34-22(18-9-5-2-6-10-18)15-21(30-34)17-7-3-1-4-8-17/h1-14,22,24-25H,15-16H2
InChIKey NZWVFGJVACVBKI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10781
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: 1003689; UBI_ID: UBI-010784
Temperature 318 °C