| SpectraBase Spectrum ID |
BDOGc1Yfz7O |
| Name |
Methyl 3-iodo-4-[N-(methoxycarbonyl)-N-(2-chloromethylprop-2-enyl)amino]benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.973430663 u |
| Formula |
C14H15ClINO4 |
| InChI |
InChI=1S/C14H15ClINO4/c1-9(7-15)8-17(14(19)21-3)12-5-4-10(6-11(12)16)13(18)20-2/h4-6H,1,7-8H2,2-3H3 |
| InChIKey |
SCVQAWWSOIOTBV-UHFFFAOYSA-N |
| Molecular Weight |
423.634 g/mol |
| SMILES |
C(C=1C=C(C(=CC1)N(CC(=C)CCl)C(=O)OC)I)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898935 |
![Methyl 3-iodo-4-[N-(methoxycarbonyl)-N-(2-chloromethylprop-2-enyl)amino]benzoate](/api/spectrum/BDOGc1Yfz7O/structure.png?h=300&w=458 "Methyl 3-iodo-4-[N-(methoxycarbonyl)-N-(2-chloromethylprop-2-enyl)amino]benzoate")
