| SpectraBase Spectrum ID |
32v04FHSm82 |
| Name |
Phthalic acid, 6-ethyl-3-octyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-6-17(7-2)13-14-18(8-3)26-22(24)20-12-10-9-11-19(20)21(23)25-15-16(4)5/h9-12,16-18H,6-8,13-15H2,1-5H3 |
| InChIKey |
OOTWJNWJPQZENR-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(C1=C(C=CC=C1)C(=O)OCC(C)C)(OC(CC)CCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842831 |
