| SpectraBase Spectrum ID |
6ccOuCB89sE |
| Name |
Terephthalic acid, isobutyl 6-methylhept-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-14(2)7-6-8-16(5)24-20(22)18-11-9-17(10-12-18)19(21)23-13-15(3)4/h9-12,14-16H,6-8,13H2,1-5H3 |
| InChIKey |
JZAYJKJCMXCGBX-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OC(C)CCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84976 |
