| SpectraBase Spectrum ID |
4x3YPRAc1e9 |
| Name |
Ethyl 3-(p-methoxyphenyl)-2-iodo-2-propenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.990939276 u |
| Formula |
C12H13IO3 |
| InChI |
InChI=1S/C12H13IO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-8H,3H2,1-2H3/b11-8- |
| InChIKey |
XPSAQHXMQFYUHL-FLIBITNWSA-N |
| Molecular Weight |
332.137 g/mol |
| SMILES |
C(\C(=C\C=1C=CC(=CC1)OC)I)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919536 |
