| SpectraBase Compound ID | 7qLB4afsfO0 |
|---|---|
| InChI | InChI=1S/C10H7IO3/c1-13-7-4-2-6-3-5-8(12)14-10(6)9(7)11/h2-5H,1H3 |
| InChIKey | SRVYHNHEBGCPIF-UHFFFAOYSA-N |
| Mol Weight | 302.07 g/mol |
| Molecular Formula | C10H7IO3 |
| Exact Mass | 301.943989 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J8yhSrd2raJ |
|---|---|
| Name | 8-Iodanyl-7-methoxy-chromen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.943989082 u |
| Formula | C10H7IO3 |
| InChI | InChI=1S/C10H7IO3/c1-13-7-4-2-6-3-5-8(12)14-10(6)9(7)11/h2-5H,1H3 |
| InChIKey | SRVYHNHEBGCPIF-UHFFFAOYSA-N |
| Molecular Weight | 302.067 g/mol |
| SMILES | C1=C(OC)C(=C2OC(C=CC2=C1)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891648 |