| SpectraBase Spectrum ID |
utv3M9080C |
| Name |
Dimethylmalonic acid, hexadecyl 3-phenylpropyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-28(31)30(2,3)29(32)34-26-21-24-27-22-18-17-19-23-27/h17-19,22-23H,4-16,20-21,24-26H2,1-3H3 |
| InChIKey |
LXNZRRXLDWPSCD-UHFFFAOYSA-N |
| Molecular Weight |
474.726 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888273 |
