| SpectraBase Spectrum ID |
KIYatsoNXAl |
| Name |
4-(N-Propyl)oxy-6-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/c1-3-6-15-12-8-13(14)16-11-5-4-9(2)7-10(11)12/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey |
FGXVZKDLAPCDQU-UHFFFAOYSA-N |
| Molecular Weight |
218.252 g/mol |
| SMILES |
C1=C(C)C=C2C(=C1)OC(=O)C=C2OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915943 |
