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(5-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)acetic acid
SpectraBase Compound ID AGyqozTZO5t
InChI InChI=1S/C11H10N6O5S/c18-9(12-7-2-1-3-8(4-7)17(21)22)6-23-11-13-14-15-16(11)5-10(19)20/h1-4H,5-6H2,(H,12,18)(H,19,20)
InChIKey MSAOEBBRWVUSTE-UHFFFAOYSA-N
Mol Weight 338.3 g/mol
Molecular Formula C11H10N6O5S
Exact Mass 338.043339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5KkmuteLZR0
Name (5-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)acetic acid
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/C11H10N6O5S/c18-9(12-7-2-1-3-8(4-7)17(21)22)6-23-11-13-14-15-16(11)5-10(19)20/h1-4H,5-6H2,(H,12,18)(H,19,20)
InChIKey MSAOEBBRWVUSTE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2833
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: D04887; Labnumber: MVERET-0927; SBI_ID: SBI-002835
Temperature 318 °C