| SpectraBase Spectrum ID |
Hnv8MWabmNO |
| Name |
Terephthalic acid, 5-methylhex-2-yl octyl 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/c1-5-6-7-8-9-10-17-26-22(24)20-13-15-21(16-14-20)23(25)27-19(4)12-11-18(2)3/h13-16,18-19H,5-12,17H2,1-4H3 |
| InChIKey |
FQWGJAZKBJWPHK-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC(CCC(C)C)C)=O)C(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889479 |
