| SpectraBase Spectrum ID |
F7MpN8j3IHe |
| Name |
(E/Z)-6-Hydroxy-6-phenyl-2-(2,2,2-trichloroethoxycarbonylamino)-hex-4-enoic acid methyl |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.025055779 u |
| Formula |
C16H18Cl3NO5 |
| InChI |
InChI=1S/C16H18Cl3NO5/c1-24-14(22)12(20-15(23)25-10-16(17,18)19)8-5-9-13(21)11-6-3-2-4-7-11/h2-7,9,12-13,21H,8,10H2,1H3,(H,20,23)/b9-5+ |
| InChIKey |
ZXDKDVCAWQJXRM-WEVVVXLNSA-N |
| Molecular Weight |
410.681 g/mol |
| SMILES |
C(OC)(=O)C(NC(OCC(Cl)(Cl)Cl)=O)C\C=C\C(C1=CC=CC=C1)O |
