| SpectraBase Spectrum ID |
A198a837pci |
| Name |
3-Butyl-7-hydroxy-8-(hydroxymethyl)-4-methylcoumarin, diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.141638422 u |
| Formula |
C19H22O6 |
| InChI |
InChI=1S/C19H22O6/c1-5-6-7-15-11(2)14-8-9-17(24-13(4)21)16(10-23-12(3)20)18(14)25-19(15)22/h8-9H,5-7,10H2,1-4H3 |
| InChIKey |
LKVBVWFSYQQCIC-UHFFFAOYSA-N |
| Molecular Weight |
346.379 g/mol |
| SMILES |
C=12C=CC(=C(C1OC(C(=C2C)CCCC)=O)COC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.75224 |
