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(5-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)acetic acid
SpectraBase Compound ID BGgvPoYQW9N
InChI InChI=1S/C13H15N5O4S/c1-2-22-10-5-3-9(4-6-10)14-11(19)8-23-13-15-16-17-18(13)7-12(20)21/h3-6H,2,7-8H2,1H3,(H,14,19)(H,20,21)
InChIKey GXTJZVVMJKCOSZ-UHFFFAOYSA-N
Mol Weight 337.35 g/mol
Molecular Formula C13H15N5O4S
Exact Mass 337.084475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3op9DPmEyFt
Name (5-{[2-(4-ethoxyanilino)-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/C13H15N5O4S/c1-2-22-10-5-3-9(4-6-10)14-11(19)8-23-13-15-16-17-18(13)7-12(20)21/h3-6H,2,7-8H2,1H3,(H,14,19)(H,20,21)
InChIKey GXTJZVVMJKCOSZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2827
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: D04881; Labnumber: MVERET-0921; SBI_ID: SBI-002829
Temperature 318 °C