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[(2-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitroanilino}-2-oxoethyl)sulfanyl]acetic acid
SpectraBase Compound ID 9Otp1fCrGQa
InChI InChI=1S/C13H16N2O7S2/c16-4-10(17)5-24-11-2-8(1-9(3-11)15(21)22)14-12(18)6-23-7-13(19)20/h1-3,10,16-17H,4-7H2,(H,14,18)(H,19,20)
InChIKey DNLJOZRXEADLHG-UHFFFAOYSA-N
Mol Weight 376.4 g/mol
Molecular Formula C13H16N2O7S2
Exact Mass 376.039893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BNCBVyOaSkU
Name [(2-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitroanilino}-2-oxoethyl)sulfanyl]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/C13H16N2O7S2/c16-4-10(17)5-24-11-2-8(1-9(3-11)15(21)22)14-12(18)6-23-7-13(19)20/h1-3,10,16-17H,4-7H2,(H,14,18)(H,19,20)
InChIKey DNLJOZRXEADLHG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14981
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: UZI/1022118; UBI_ID: UBI-014984
Temperature 315 °C