| SpectraBase Compound ID | 72EooBkPEzB |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-2-15-12(14)9-7-11(13)16-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3 |
| InChIKey | RJAZNJSRZXVBIX-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C12H10O4 |
| Exact Mass | 218.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ABHnVQ7eE78 |
|---|---|
| Name | Ethyl 4-coumarincarboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.057908798 u |
| Formula | C12H10O4 |
| InChI | InChI=1S/C12H10O4/c1-2-15-12(14)9-7-11(13)16-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3 |
| InChIKey | RJAZNJSRZXVBIX-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | C=1(C2=C(C=CC=C2)OC(C1)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960733 |