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2-[7-(4-fluorophenyl)-5-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-[7-(4-fluorophenyl)-5-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 APOSheaaz8J
InChI InChI=1S/C25H22FN5O2/c26-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)27-24-28-25(29-31(21)24)30-22(32)18-8-4-5-9-19(18)23(30)33/h1-7,10-13,18-21H,8-9,14H2,(H,27,28,29)
InChIKey URQSLNUTNNEUJC-UHFFFAOYSA-N
Mol Weight 443.48 g/mol
Molecular Formula C25H22FN5O2
Exact Mass 443.175753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 143Sgsvy2w0
Name 2-[7-(4-fluorophenyl)-5-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/C25H22FN5O2/c26-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)27-24-28-25(29-31(21)24)30-22(32)18-8-4-5-9-19(18)23(30)33/h1-7,10-13,18-21H,8-9,14H2,(H,27,28,29)
InChIKey URQSLNUTNNEUJC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22428
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: D59528; Labnumber: RRVCHEx-0280; SBI_ID: SBI-022432
Temperature 318 °C