| SpectraBase Spectrum ID |
1BWOnaUoy0t |
| Name |
Phthalic acid, 4,4-dimethylpent-2-yl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-6-7-8-9-10-13-16-26-21(24)19-14-11-12-15-20(19)22(25)27-18(2)17-23(3,4)5/h11-12,14-15,18H,6-10,13,16-17H2,1-5H3 |
| InChIKey |
HUCUQWDYMDTQGD-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCC)=O)C(OC(C)CC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869055 |
