| SpectraBase Spectrum ID |
13LkheCueeQ |
| Name |
Salicylic acid, 5-iodo-3-nitro-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.929067292 u |
| Formula |
C8H6INO5 |
| InChI |
InChI=1S/C8H6INO5/c1-15-8(12)5-2-4(9)3-6(7(5)11)10(13)14/h2-3,11H,1H3 |
| InChIKey |
ASJSCAAJPCMENM-UHFFFAOYSA-N |
| Molecular Weight |
323.042 g/mol |
| SMILES |
C(OC)(=O)C1=C(O)C(N(=O)=O)=CC(=C1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867367 |
