| SpectraBase Spectrum ID |
G17YaHu4c4t |
| Name |
2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl 3,4,5-trimethoxybenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 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 |
| SMILES |
COC1=C(OC)C(=CC(C(OCC(NC(C(Cl)Cl)=O)C(C2=CC=C(N(=O)=O)C=C2)O)=O)=C1)OC |
![2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl 3,4,5-trimethoxybenzoate](/api/spectrum/G17YaHu4c4t/structure.png?h=300&w=458 "2-[(Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl 3,4,5-trimethoxybenzoate")
