| SpectraBase Spectrum ID |
65Gv9Bh93GA |
| Name |
bk-2C-I ac P1276 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.996752931 u |
| Formula |
C12H14INO4 |
| InChI |
InChI=1S/C12H14INO4/c1-7(15)14-6-10(16)8-4-12(18-3)9(13)5-11(8)17-2/h4-5H,6H2,1-3H3,(H,14,15) |
| InChIKey |
HWVQBWWACWXQAJ-UHFFFAOYSA-N |
| Molecular Weight |
363.151 g/mol |
| SMILES |
C=1C(OC)=C(C=C(C1I)OC)C(CNC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943323 |
