| SpectraBase Compound ID | HXcyVNkJJxJ |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-3-6-15-11-8-13(14)16-12-7-9(2)4-5-10(11)12/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | QKADVENIZKMFEO-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B8abUiX6Q0H |
|---|---|
| Name | 4-Propyloxy-7-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.094294308 u |
| Formula | C13H14O3 |
| InChI | InChI=1S/C13H14O3/c1-3-6-15-11-8-13(14)16-12-7-9(2)4-5-10(11)12/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | QKADVENIZKMFEO-UHFFFAOYSA-N |
| Molecular Weight | 218.252 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2OCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905725 |