| SpectraBase Compound ID | KtK66fwz1Fk |
|---|---|
| InChI | InChI=1S/C10H7IO4/c1-14-6-4-5-2-3-7(12)15-10(5)8(11)9(6)13/h2-4,13H,1H3 |
| InChIKey | OPCJMYUAPMBIRD-UHFFFAOYSA-N |
| Mol Weight | 318.07 g/mol |
| Molecular Formula | C10H7IO4 |
| Exact Mass | 317.938904 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5kxWKO2Y1lk |
|---|---|
| Name | 8-Iodo-7-hydroxy-6-methoxycoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.938903701 u |
| Formula | C10H7IO4 |
| InChI | InChI=1S/C10H7IO4/c1-14-6-4-5-2-3-7(12)15-10(5)8(11)9(6)13/h2-4,13H,1H3 |
| InChIKey | OPCJMYUAPMBIRD-UHFFFAOYSA-N |
| Molecular Weight | 318.066 g/mol |
| SMILES | C1(OC=2C(=C(C(=CC2C=C1)OC)O)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902636 |