| SpectraBase Spectrum ID |
9VMB7E5bNh6 |
| Name |
Terephthalic acid, 2-decyl isobutyl 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/c1-5-6-7-8-9-10-11-18(4)26-22(24)20-14-12-19(13-15-20)21(23)25-16-17(2)3/h12-15,17-18H,5-11,16H2,1-4H3 |
| InChIKey |
OVYTZLMAJFCLKN-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC(C)C)=O)C(OC(CCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928376 |
