| SpectraBase Spectrum ID |
2z5wtSoRzpu |
| Name |
Phthalic acid, 5-methylhex-2-yl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.370910086 u |
| Formula |
C30H50O4 |
| InChI |
InChI=1S/C30H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-24-33-29(31)27-20-17-18-21-28(27)30(32)34-26(4)23-22-25(2)3/h17-18,20-21,25-26H,5-16,19,22-24H2,1-4H3 |
| InChIKey |
AUCRTDGIATUPAD-UHFFFAOYSA-N |
| Molecular Weight |
474.726 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808886 |
