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(5-methoxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(5-methoxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine
SpectraBase Compound ID 4g4wqXTLQxs
InChI InChI=1S/C8H7N5O4/c1-17-6-3-4(13(15)16)2-5-7(6)10-8(9)11-12(5)14/h2-3H,1H3,(H2,9,10,11)
InChIKey ALBJLFPPBVPROU-UHFFFAOYSA-N
Mol Weight 237.18 g/mol
Molecular Formula C8H7N5O4
Exact Mass 237.049804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I8o0bP6EiLE
Name 5-methoxy-7-nitro-1,2,4-benzotriazin-3-amine 1-oxide
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/C8H7N5O4/c1-17-6-3-4(13(15)16)2-5-7(6)10-8(9)11-12(5)14/h2-3H,1H3,(H2,9,10,11)
InChIKey ALBJLFPPBVPROU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1763
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: 9066081; UBI_ID: UBI-001764
Synonyms 5-methoxy-7-nitro-1-oxido-1,2,4-benzotriazin-3-ylamine
Temperature 308 °C