| SpectraBase Spectrum ID |
C7qcUGPcmOQ |
| Name |
Terephthalic acid, butyl 4,4-dimethylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-6-8-13-22-17(20)14-9-11-15(12-10-14)18(21)23-16(7-2)19(3,4)5/h9-12,16H,6-8,13H2,1-5H3 |
| InChIKey |
GKZMTNQWLQQSJD-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OC(C(C)(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958914 |
