| SpectraBase Compound ID | GudkLlyaQTM |
|---|---|
| InChI | InChI=1S/C14H14O6/c1-17-11-6-9-8(4-13(15)19-3)5-14(16)20-10(9)7-12(11)18-2/h5-7H,4H2,1-3H3 |
| InChIKey | HESQWRMSNXAOHN-UHFFFAOYSA-N |
| Mol Weight | 278.26 g/mol |
| Molecular Formula | C14H14O6 |
| Exact Mass | 278.079038 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JHWL8fDjvEN |
|---|---|
| Name | Methyl 6,7-dimethoxycoumarin-4-acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.079038165 u |
| Formula | C14H14O6 |
| InChI | InChI=1S/C14H14O6/c1-17-11-6-9-8(4-13(15)19-3)5-14(16)20-10(9)7-12(11)18-2/h5-7H,4H2,1-3H3 |
| InChIKey | HESQWRMSNXAOHN-UHFFFAOYSA-N |
| SMILES | C1(=CC(=O)OC2=C1C=C(OC)C(=C2)OC)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963596 |