| SpectraBase Spectrum ID |
CymUFnoGROQ |
| Name |
Phthalic acid, 5-methylhex-2-yl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-5-6-7-8-9-10-11-12-15-20-29-25(27)23-16-13-14-17-24(23)26(28)30-22(4)19-18-21(2)3/h13-14,16-17,21-22H,5-12,15,18-20H2,1-4H3 |
| InChIKey |
BPKHEUCBYLEYNW-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840529 |
