| SpectraBase Spectrum ID |
8AQL6ZgHlcY |
| Name |
Phthalic acid, isobutyl 5-methoxy-3-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.193673997 u |
| Formula |
C19H28O5 |
| InChI |
InChI=1S/C19H28O5/c1-14(2)13-24-19(21)17-8-6-5-7-16(17)18(20)23-12-10-15(3)9-11-22-4/h5-8,14-15H,9-13H2,1-4H3 |
| InChIKey |
ZMSTXPGKPFDITF-UHFFFAOYSA-N |
| Molecular Weight |
336.428 g/mol |
| SMILES |
C(C1=C(C=CC=C1)C(=O)OCC(C)C)(OCCC(CCOC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936773 |
