| SpectraBase Spectrum ID |
5ZFlnI3XfFP |
| Name |
Phthalic acid, benzyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-20(2,3)14-24-19(22)17-12-8-7-11-16(17)18(21)23-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3 |
| InChIKey |
XTRIJUHGDJZSTI-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(=O)OCC(C)(C)C)C(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868006 |
