| SpectraBase Spectrum ID |
8lLnh2cH9IZ |
| Name |
Phthalic acid, hept-3-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/c1-4-7-9-10-11-14-18-26-22(24)20-16-12-13-17-21(20)23(25)27-19(6-3)15-8-5-2/h12-13,16-17,19H,4-11,14-15,18H2,1-3H3 |
| InChIKey |
BQCKWSDXLQDMNH-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1=CC=CC(=C1C(OC(CC)CCCC)=O)C(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866252 |
