| SpectraBase Spectrum ID |
DO9V5L1pbrf |
| Name |
Terephthalic acid, (5-ethyl-1,3-dioxan-5-yl)methyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.157288487 u |
| Formula |
C18H24O6 |
| InChI |
InChI=1S/C18H24O6/c1-3-9-23-16(19)14-5-7-15(8-6-14)17(20)24-12-18(4-2)10-21-13-22-11-18/h5-8H,3-4,9-13H2,1-2H3 |
| InChIKey |
GBWFVHRILHVYNB-UHFFFAOYSA-N |
| Molecular Weight |
336.384 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC1(CC)COCOC1)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961612 |
