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acetic acid, [2-[[3-[(2,3-dihydroxypropyl)thio]-5-nitrophenyl]amino]-2-oxoethoxy]-
SpectraBase Compound ID 59VRp41ns0d
InChI InChI=1S/C13H16N2O8S/c16-4-10(17)7-24-11-2-8(1-9(3-11)15(21)22)14-12(18)5-23-6-13(19)20/h1-3,10,16-17H,4-7H2,(H,14,18)(H,19,20)
InChIKey XTICOGVEBSWWSP-UHFFFAOYSA-N
Mol Weight 360.34 g/mol
Molecular Formula C13H16N2O8S
Exact Mass 360.062737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LRYU3GmiKlb
Name acetic acid, [2-[[3-[(2,3-dihydroxypropyl)thio]-5-nitrophenyl]amino]-2-oxoethoxy]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.062736649 u
Formula C13H16N2O8S
InChI InChI=1S/C13H16N2O8S/c16-4-10(17)7-24-11-2-8(1-9(3-11)15(21)22)14-12(18)5-23-6-13(19)20/h1-3,10,16-17H,4-7H2,(H,14,18)(H,19,20)
InChIKey XTICOGVEBSWWSP-UHFFFAOYSA-N
Molecular Weight 360.337 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15911
Solvent DMSO-d6
Source Vendor ID: NMR/11210901; Lab Info: DUT; Lab Number: DUT-dso0164