| SpectraBase Spectrum ID |
79f731mG6Sk |
| Name |
Terephthalic acid, 4,4-dimethylpent-2-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-6-12-21-16(19)13-8-10-14(11-9-13)17(20)22-15(7-2)18(3,4)5/h8-11,15H,6-7,12H2,1-5H3 |
| InChIKey |
GFSUUEIJZZJFQT-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OC(C(C)(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946532 |
