| SpectraBase Compound ID | 6uhQtRAp4kD |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-2-5-9-8-12(13)14-11-7-4-3-6-10(9)11/h3-4,6-8H,2,5H2,1H3 |
| InChIKey | COUVZUUYPFPAPD-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4xtG3oZprQb |
|---|---|
| Name | 4-N-Propylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-2-5-9-8-12(13)14-11-7-4-3-6-10(9)11/h3-4,6-8H,2,5H2,1H3 |
| InChIKey | COUVZUUYPFPAPD-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C12=C(C=CC=C2)OC(C=C1CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9416 |