| SpectraBase Compound ID | 9NbumAnjccg |
|---|---|
| InChI | InChI=1S/C10H6ClIO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H,5H2 |
| InChIKey | NPFQPEKERKZIRH-UHFFFAOYSA-N |
| Mol Weight | 320.51 g/mol |
| Molecular Formula | C10H6ClIO2 |
| Exact Mass | 319.910102 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1R0Dn7Euwf4 |
|---|---|
| Name | 3-(Iodomethyl)-6-chlorocoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.910102131 u |
| Formula | C10H6ClIO2 |
| InChI | InChI=1S/C10H6ClIO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H,5H2 |
| InChIKey | NPFQPEKERKZIRH-UHFFFAOYSA-N |
| Molecular Weight | 320.513 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=C(C=C2)Cl)=O)CI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979462 |