| SpectraBase Spectrum ID |
FiOtelbEqhL |
| Name |
benzoic acid, 3,4,5-trimethoxy-, 2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.070235687 u |
| Formula |
C21H22Cl2N2O9 |
| InChI |
InChI=1S/C21H22Cl2N2O9/c1-31-15-8-12(9-16(32-2)18(15)33-3)21(28)34-10-14(24-20(27)19(22)23)17(26)11-4-6-13(7-5-11)25(29)30/h4-9,14,17,19,26H,10H2,1-3H3,(H,24,27) |
| InChIKey |
ZYWOLDMXWZUVKM-UHFFFAOYSA-N |
| Molecular Weight |
517.318 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17780 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11280470; Lab Info: UDN; Lab Number: UDN-1060003 |
![benzoic acid, 3,4,5-trimethoxy-, 2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester](/api/spectrum/FiOtelbEqhL/structure.png?h=300&w=458 "benzoic acid, 3,4,5-trimethoxy-, 2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester")
