| SpectraBase Spectrum ID |
5Yvwec2fkHL |
| Name |
Phthalic acid, 5-methylhex-2-yl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-5-6-7-8-9-10-13-18-27-23(25)21-14-11-12-15-22(21)24(26)28-20(4)17-16-19(2)3/h11-12,14-15,19-20H,5-10,13,16-18H2,1-4H3 |
| InChIKey |
KUGFKABIXKMBFZ-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866053 |
