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[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazine-8-acetic acid, alpha-bromo-5-[(4-methoxyphenyl)amino]-, ethyl ester

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[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazine-8-acetic acid, alpha-bromo-5-[(4-methoxyphenyl)amino]-, ethyl ester
SpectraBase Compound ID G3RdYKdRXZ3
InChI InChI=1S/C16H14BrN7O4/c1-3-27-16(25)10(17)13-20-21-14-11(18-8-4-6-9(26-2)7-5-8)19-12-15(24(13)14)23-28-22-12/h4-7,10H,3H2,1-2H3,(H,18,19,22)
InChIKey QGTGHZLGFZOCJZ-UHFFFAOYSA-N
Mol Weight 448.24 g/mol
Molecular Formula C16H14BrN7O4
Exact Mass 447.029065 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DEpAaN2pvCu
Name [1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazine-8-acetic acid, alpha-bromo-5-[(4-methoxyphenyl)amino]-, ethyl ester
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/C16H14BrN7O4/c1-3-27-16(25)10(17)13-20-21-14-11(18-8-4-6-9(26-2)7-5-8)19-12-15(24(13)14)23-28-22-12/h4-7,10H,3H2,1-2H3,(H,18,19,22)
InChIKey QGTGHZLGFZOCJZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1178
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-205/5120058; Labnumber: SAD-2441; IOH_ID: IOH-008180