| SpectraBase Spectrum ID |
3uOVJlaRXPd |
| Name |
Phthalic acid, isohexyl 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 |
364.224974125 u |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-16(2)8-7-13-25-20(22)18-9-5-6-10-19(18)21(23)26-15-12-17(3)11-14-24-4/h5-6,9-10,16-17H,7-8,11-15H2,1-4H3 |
| InChIKey |
KRUBUUUERRZBAI-UHFFFAOYSA-N |
| Molecular Weight |
364.482 g/mol |
| SMILES |
C(C1=C(C=CC=C1)C(=O)OCCCC(C)C)(OCCC(CCOC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801519 |
