| SpectraBase Spectrum ID |
GSToMrwtTXP |
| Name |
Phthalic acid, isohexyl isoporpyl 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)8-7-11-20-16(18)14-9-5-6-10-15(14)17(19)21-13(3)4/h5-6,9-10,12-13H,7-8,11H2,1-4H3 |
| InChIKey |
KEPOKPNQVMKITO-UHFFFAOYSA-N |
| SMILES |
C1(=CC=CC=C1C(OC(C)C)=O)C(=O)OCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836163 |
