| SpectraBase Compound ID | IV4BdWpDbPZ |
|---|---|
| InChI | InChI=1S/C10H6BrIO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H,5H2 |
| InChIKey | MYKHAUGMUOAXMN-UHFFFAOYSA-N |
| Mol Weight | 364.96 g/mol |
| Molecular Formula | C10H6BrIO2 |
| Exact Mass | 363.859587 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6VquM8vSELc |
|---|---|
| Name | 3-(Iodomethyl)-6-bromocoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.859587431 u |
| Formula | C10H6BrIO2 |
| InChI | InChI=1S/C10H6BrIO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H,5H2 |
| InChIKey | MYKHAUGMUOAXMN-UHFFFAOYSA-N |
| Molecular Weight | 364.964 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=C(C=C2)Br)=O)CI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950129 |