| SpectraBase Spectrum ID |
LkiQIZj1vER |
| Name |
3-[(4S,5S)-5-[(Z)-2-Iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.032804088 u |
| Formula |
C12H19IO4 |
| InChI |
InChI=1S/C12H19IO4/c1-4-15-11(14)6-5-9-10(7-8-13)17-12(2,3)16-9/h7-10H,4-6H2,1-3H3/b8-7-/t9-,10-/m0/s1 |
| InChIKey |
CWMCLVSCVMHDLL-OWSSEVEYSA-N |
| Molecular Weight |
354.184 g/mol |
| SMILES |
C1(O[C@@](\C=C/I)([C@@](O1)(CCC(=O)OCC)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9696 |
![3-[(4S,5S)-5-[(Z)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid ethyl ester](/api/spectrum/LkiQIZj1vER/structure.png?h=300&w=458 "3-[(4S,5S)-5-[(Z)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid ethyl ester")
