| SpectraBase Spectrum ID |
1OVMp7hefUR |
| Name |
Phthalic acid, 2-ethylhexyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.323959893 u |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-4-7-9-10-11-12-13-14-17-21-30-26(28)24-19-15-16-20-25(24)27(29)31-22-23(6-3)18-8-5-2/h15-16,19-20,23H,4-14,17-18,21-22H2,1-3H3 |
| InChIKey |
JCLYNTWIDKAJSK-UHFFFAOYSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
C1=C(C(C(OCCCCCCCCCCC)=O)=CC=C1)C(=O)OCC(CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925553 |
