| SpectraBase Spectrum ID |
2OHAYYjzZ70 |
| Name |
Terephthalic acid, 2-decyl 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/c1-4-6-8-9-10-11-13-19(3)27-23(25)21-16-14-20(15-17-21)22(24)26-18-12-7-5-2/h14-17,19H,4-13,18H2,1-3H3 |
| InChIKey |
CZDMZXUCEZUBSZ-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCC)=O)C(OC(CCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913214 |
