| SpectraBase Spectrum ID |
1PR6dOmXf5q |
| Name |
Terephthalic acid, ethyl (5-ethyl-1,3-dioxan-5-yl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.141638422 u |
| Formula |
C17H22O6 |
| InChI |
InChI=1S/C17H22O6/c1-3-17(9-20-12-21-10-17)11-23-16(19)14-7-5-13(6-8-14)15(18)22-4-2/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey |
GURAUBOBOBHODI-UHFFFAOYSA-N |
| Molecular Weight |
322.357 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC1(CC)COCOC1)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956664 |
