| SpectraBase Spectrum ID |
F0dHg52xtJh |
| Name |
Terephthalic acid, 5-methylhex-2-yl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-5-6-7-8-9-10-11-12-13-20-29-25(27)23-16-18-24(19-17-23)26(28)30-22(4)15-14-21(2)3/h16-19,21-22H,5-15,20H2,1-4H3 |
| InChIKey |
CHCGXPDVPJWMRM-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC(CCC(C)C)C)=O)C(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824894 |
