| SpectraBase Spectrum ID |
3GhKxQbWLuP |
| Name |
Phthalic acid, butyl 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 |
350.172938551 u |
| Formula |
C19H26O6 |
| InChI |
InChI=1S/C19H26O6/c1-3-5-10-24-17(20)15-8-6-7-9-16(15)18(21)25-13-19(4-2)11-22-14-23-12-19/h6-9H,3-5,10-14H2,1-2H3 |
| InChIKey |
FQPAPVYQTHMASX-UHFFFAOYSA-N |
| Molecular Weight |
350.411 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OCCCC)=O)C(OCC1(CC)COCOC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897525 |
