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2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID ClgjX7hqw8
InChI InChI=1S/C11H9N5O2/c12-11-13-8(14-15-11)5-16-9(17)6-3-1-2-4-7(6)10(16)18/h1-4H,5H2,(H3,12,13,14,15)
InChIKey XUZOXROUZQICEP-UHFFFAOYSA-N
Mol Weight 243.23 g/mol
Molecular Formula C11H9N5O2
Exact Mass 243.075625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IEwkxXL2H7f
Name 1H-isoindole-1,3(2H)-dione, 2-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-
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/C11H9N5O2/c12-11-13-8(14-15-11)5-16-9(17)6-3-1-2-4-7(6)10(16)18/h1-4H,5H2,(H3,12,13,14,15)
InChIKey XUZOXROUZQICEP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_8393
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: ZERO/005157; IOH_ID: IOH-015398