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(5-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)acetic acid
SpectraBase Compound ID BkEQ1ll9FwE
InChI InChI=1S/C13H15N5O3S/c1-8-3-4-10(9(2)5-8)14-11(19)7-22-13-15-16-17-18(13)6-12(20)21/h3-5H,6-7H2,1-2H3,(H,14,19)(H,20,21)
InChIKey ODQZWIVIUAWSNY-UHFFFAOYSA-N
Mol Weight 321.36 g/mol
Molecular Formula C13H15N5O3S
Exact Mass 321.089561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rhhUBYREnF
Name (5-{[2-(2,4-dimethylanilino)-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/C13H15N5O3S/c1-8-3-4-10(9(2)5-8)14-11(19)7-22-13-15-16-17-18(13)6-12(20)21/h3-5H,6-7H2,1-2H3,(H,14,19)(H,20,21)
InChIKey ODQZWIVIUAWSNY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2828
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: D04882; Labnumber: MVERET-0922; SBI_ID: SBI-002830
Temperature 318 °C