| SpectraBase Spectrum ID |
2tJo2jPHe72 |
| Name |
Terephthalic acid, butyl 2-decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-4-6-8-9-10-11-12-18(3)26-22(24)20-15-13-19(14-16-20)21(23)25-17-7-5-2/h13-16,18H,4-12,17H2,1-3H3 |
| InChIKey |
DQLZQRFWSNIHCQ-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCC)=O)C(OC(CCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956728 |
