| SpectraBase Spectrum ID |
CQ55QAi9WcH |
| Name |
Ethyl 3-(3'-bromophenyl)-2-iodo-2-propenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.890887560 u |
| Formula |
C11H10BrIO2 |
| InChI |
InChI=1S/C11H10BrIO2/c1-2-15-11(14)10(13)7-8-4-3-5-9(12)6-8/h3-7H,2H2,1H3/b10-7- |
| InChIKey |
JTOBLMMYZDSTDK-YFHOEESVSA-N |
| Molecular Weight |
381.007 g/mol |
| SMILES |
C=1(\C=C\(C(=O)OCC)I)C=C(Br)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829834 |
