| SpectraBase Spectrum ID |
5ZfAiazt34W |
| Name |
Phthalic acid, di(2-methylbutyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-5-13(3)11-21-17(19)15-9-7-8-10-16(15)18(20)22-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey |
MZLKGKRQKLIVBS-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
CCC(COC(C1=C(C=CC=C1)C(OCC(CC)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962019 |
