| SpectraBase Compound ID | CBpNnk5OkPs |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-3-14-9-4-5-11-10(7-9)8(2)6-12(13)15-11/h4-7H,3H2,1-2H3 |
| InChIKey | CAJUPFPBROFVEL-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BSLAiZiX6Ko |
|---|---|
| Name | 4-Methyl-6-ethoxylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-3-14-9-4-5-11-10(7-9)8(2)6-12(13)15-11/h4-7H,3H2,1-2H3 |
| InChIKey | CAJUPFPBROFVEL-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C1=C(C=C2C(=C1)OC(=O)C=C2C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900612 |