| SpectraBase Spectrum ID |
HpDFKe319so |
| Name |
4-[(3-Methyl-2-butenyl)-oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic-acid-methylester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.125988358 u |
| Formula |
C17H20O6 |
| InChI |
InChI=1S/C17H20O6/c1-9(2)6-7-22-14-10(3)15(20-4)13(16(18)21-5)12-11(14)8-23-17(12)19/h6H,7-8H2,1-5H3 |
| InChIKey |
NSPVWZKDDNWEAO-UHFFFAOYSA-N |
| Molecular Weight |
320.341 g/mol |
| SMILES |
C1(=O)OCC2=C(OCC=C(C)C)C(C)=C(OC)C(C(=O)OC)=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893508 |
![4-[(3-Methyl-2-butenyl)-oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic-acid-methylester](/api/spectrum/HpDFKe319so/structure.png?h=300&w=458 "4-[(3-Methyl-2-butenyl)-oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic-acid-methylester")
