| SpectraBase Spectrum ID |
4SIwC0k94Sg |
| Name |
Phthalic acid, isobutyl 3-methylbutyl 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/c1-12(2)9-10-20-16(18)14-7-5-6-8-15(14)17(19)21-11-13(3)4/h5-8,12-13H,9-11H2,1-4H3 |
| InChIKey |
WFJSBFAFJVABJD-UHFFFAOYSA-N |
| SMILES |
C1=C(C(=CC=C1)C(OCC(C)C)=O)C(OCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948275 |
