| SpectraBase Spectrum ID |
AqEqqghKrNX |
| Name |
Phthalic acid, di(5-ethyl-1,3-dioxan-5-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.194067918 u |
| Formula |
C22H30O8 |
| InChI |
InChI=1S/C22H30O8/c1-3-21(9-25-15-26-10-21)13-29-19(23)17-7-5-6-8-18(17)20(24)30-14-22(4-2)11-27-16-28-12-22/h5-8H,3-4,9-16H2,1-2H3 |
| InChIKey |
BINJDHNHEREPTE-UHFFFAOYSA-N |
| Molecular Weight |
422.474 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OCC1(CC)COCOC1)=O)C(OCC1(CC)COCOC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854195 |
