| SpectraBase Spectrum ID |
32JhU1uOvNg |
| Name |
Terephthalic acid, 3-methoxyphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-3-11-22-17(19)13-7-9-14(10-8-13)18(20)23-16-6-4-5-15(12-16)21-2/h4-10,12H,3,11H2,1-2H3 |
| InChIKey |
XOTRMVYOYOAPRM-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(OC1=CC(OC)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852165 |
