| SpectraBase Spectrum ID |
16Cby5SwPHA |
| Name |
Terephthalic acid, 5-methylhex-2-yl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-5-6-7-8-9-10-11-18-27-23(25)21-14-16-22(17-15-21)24(26)28-20(4)13-12-19(2)3/h14-17,19-20H,5-13,18H2,1-4H3 |
| InChIKey |
GMJSDWHZMVFZGA-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC(CCC(C)C)C)=O)C(OCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902057 |
