| SpectraBase Spectrum ID |
EAdnDe6NWGk |
| Name |
Diethylmalonic acid, hexadecyl 2-methylphenyl 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/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-25-33-28(31)30(6-2,7-3)29(32)34-27-24-21-20-23-26(27)4/h20-21,23-24H,5-19,22,25H2,1-4H3 |
| InChIKey |
YEDDXCQYJRPBAE-UHFFFAOYSA-N |
| Molecular Weight |
474.726 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802237 |
