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2-(1H-1,2,4-triazol-5-yl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione
SpectraBase Compound ID 1sVNnP7qF5P
InChI InChI=1S/C16H12N4O3/c21-10-5-9-7-3-1-2-4-8(7)11(10)13-12(9)14(22)20(15(13)23)16-17-6-18-19-16/h1-4,6,9,11-13H,5H2,(H,17,18,19)/t9-,11-,12-,13+/m1/s1
InChIKey PBKAZFMLMDKALA-JHEVNIALSA-N
Mol Weight 308.3 g/mol
Molecular Formula C16H12N4O3
Exact Mass 308.09094 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DcUKo2kKTXi
Name 2-(1H-1,2,4-triazol-5-yl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione
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/C16H12N4O3/c21-10-5-9-7-3-1-2-4-8(7)11(10)13-12(9)14(22)20(15(13)23)16-17-6-18-19-16/h1-4,6,9,11-13H,5H2,(H,17,18,19)/t9-,11-,12-,13+/m1/s1
InChIKey PBKAZFMLMDKALA-JHEVNIALSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5753
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: AG-205/5110241; Labnumber: LD-42b; IOH_ID: IOH-012756