| SpectraBase Spectrum ID |
CzDvME4uqoM |
| Name |
Phthalic acid, dodecyl 4-methylpent-2-yl 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/c1-5-6-7-8-9-10-11-12-13-16-19-29-25(27)23-17-14-15-18-24(23)26(28)30-22(4)20-21(2)3/h14-15,17-18,21-22H,5-13,16,19-20H2,1-4H3 |
| InChIKey |
DZBKGUDABZIEID-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OC(C)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802848 |
