| SpectraBase Spectrum ID |
JsDVlCfUDUa |
| Name |
Phthalic acid, dec-2-yl pentyl 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/c1-4-6-8-9-10-11-15-19(3)27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-7-5-2/h12-13,16-17,19H,4-11,14-15,18H2,1-3H3 |
| InChIKey |
GYQCTHWHCXODID-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OCCCCC)=O)C(OC(C)CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883874 |
