SpectraBase Spectrum ID |
67qDzRPtUOl |
Name |
Phthalic acid, heptyl 2-methylbutyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
334.214409442 u |
Formula |
C20H30O4 |
InChI |
InChI=1S/C20H30O4/c1-4-6-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-15-16(3)5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3 |
InChIKey |
XQMHLPJZFZCLAW-UHFFFAOYSA-N |
Molecular Weight |
334.456 g/mol |
SMILES |
C(C1=C(C=CC=C1)C(OCC(CC)C)=O)(OCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801083 |