| SpectraBase Spectrum ID |
3n7kX3OedKS |
| Name |
Phthalic acid, butyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-5-6-11-20-15(18)13-9-7-8-10-14(13)16(19)21-12-17(2,3)4/h7-10H,5-6,11-12H2,1-4H3 |
| InChIKey |
FBAAGHRKSWEHNT-UHFFFAOYSA-N |
| SMILES |
C1=C(C(=CC=C1)C(=O)OCC(C)(C)C)C(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888941 |
