| SpectraBase Spectrum ID |
BuJqoznIRyc |
| Name |
Terephthalic acid, (5-ethyl-1,3-dioxan-5-yl)methyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.172938551 u |
| Formula |
C19H26O6 |
| InChI |
InChI=1S/C19H26O6/c1-4-19(10-22-13-23-11-19)12-25-18(21)16-7-5-15(6-8-16)17(20)24-9-14(2)3/h5-8,14H,4,9-13H2,1-3H3 |
| InChIKey |
BGJGISALIFYESN-UHFFFAOYSA-N |
| Molecular Weight |
350.411 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC1(CC)COCOC1)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96095 |
