| SpectraBase Spectrum ID |
50iGqJzRLKd |
| Name |
Terephthalic acid, 6-methylhept-2-yl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.292659764 u |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-5-6-7-8-9-10-11-19-28-24(26)22-15-17-23(18-16-22)25(27)29-21(4)14-12-13-20(2)3/h15-18,20-21H,5-14,19H2,1-4H3 |
| InChIKey |
ZUJQLWGYPYFPMC-UHFFFAOYSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCCCCC)=O)C(=O)OC(C)CCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926173 |
