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4-(3-nitro-1,2,4-triazol-1-yl)butyric acid

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4-(3-nitro-1,2,4-triazol-1-yl)butyric acid
SpectraBase Compound ID IFCiAolWCBw
InChI InChI=1S/C6H8N4O4/c11-5(12)2-1-3-9-4-7-6(8-9)10(13)14/h4H,1-3H2,(H,11,12)
InChIKey VKHMLQUUROMVFW-UHFFFAOYSA-N
Mol Weight 200.15 g/mol
Molecular Formula C6H8N4O4
Exact Mass 200.054555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F03EyaPI70C
Name 1H-1,2,4-triazole-1-butanoic acid, 3-nitro-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C6H8N4O4/c11-5(12)2-1-3-9-4-7-6(8-9)10(13)14/h4H,1-3H2,(H,11,12)
InChIKey VKHMLQUUROMVFW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_8112
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/001998; IOH_ID: IOH-015117