| SpectraBase Spectrum ID |
JBLeg4L3wLk |
| Name |
4-[3-Methyl-2-butenyl)-oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic-acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.110338294 u |
| Formula |
C16H18O6 |
| InChI |
InChI=1S/C16H18O6/c1-8(2)5-6-21-13-9(3)14(20-4)12(15(17)18)11-10(13)7-22-16(11)19/h5H,6-7H2,1-4H3,(H,17,18) |
| InChIKey |
DAGARMDGUIPZPH-UHFFFAOYSA-N |
| SMILES |
C1(=O)OCC2=C(OCC=C(C)C)C(C)=C(OC)C(C(=O)O)=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879889 |
![4-[3-Methyl-2-butenyl)-oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic-acid](/api/spectrum/JBLeg4L3wLk/structure.png?h=300&w=458 "4-[3-Methyl-2-butenyl)-oxy]-6-methoxy-5-methyl-7-phthalidecarboxylic-acid")
