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 |