| SpectraBase Spectrum ID |
2XL0qbGar0h |
| Name |
Terephthalic acid, 3,4-dimethylphenyl propyl 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/c1-4-11-22-18(20)15-6-8-16(9-7-15)19(21)23-17-10-5-13(2)14(3)12-17/h5-10,12H,4,11H2,1-3H3 |
| InChIKey |
UMUOHHWAWDQPAO-UHFFFAOYSA-N |
| Molecular Weight |
312.365 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(OC1=CC=C(C)C(C)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884472 |
