| SpectraBase Spectrum ID |
JryFaDQjnzt |
| Name |
Terephthalic acid, isobutyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.136159120 u |
| Formula |
C19H20O4 |
| InChI |
InChI=1S/C19H20O4/c1-13(2)12-22-18(20)15-8-10-16(11-9-15)19(21)23-17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3 |
| InChIKey |
YGGVVJVTEMDZDC-UHFFFAOYSA-N |
| Molecular Weight |
312.365 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC(C)C)=O)C(OC1=C(C=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904395 |
