| SpectraBase Compound ID | EJFOybGBCdH |
|---|---|
| InChI | InChI=1S/C11H9ClO3/c1-14-9-4-2-3-7-5-8(6-12)11(13)15-10(7)9/h2-5H,6H2,1H3 |
| InChIKey | LORJTEJFAKTDBY-UHFFFAOYSA-N |
| Mol Weight | 224.64 g/mol |
| Molecular Formula | C11H9ClO3 |
| Exact Mass | 224.024022 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 77CIhjDsOiq |
|---|---|
| Name | 3-(Chloromethyl)-8-methoxycoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.024021847 u |
| Formula | C11H9ClO3 |
| InChI | InChI=1S/C11H9ClO3/c1-14-9-4-2-3-7-5-8(6-12)11(13)15-10(7)9/h2-5H,6H2,1H3 |
| InChIKey | LORJTEJFAKTDBY-UHFFFAOYSA-N |
| Molecular Weight | 224.643 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=CC=C2OC)=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948407 |