| SpectraBase Spectrum ID |
EmcfLHoNOTp |
| Name |
Dimethylmalonic acid, heptadecyl 2-phenethyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-33-28(31)30(2,3)29(32)34-26-24-27-22-19-18-20-23-27/h18-20,22-23H,4-17,21,24-26H2,1-3H3 |
| InChIKey |
VIKULCUMGIVBOS-UHFFFAOYSA-N |
| Molecular Weight |
474.726 g/mol |
| SMILES |
C1=CC=CC(=C1)CCOC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87203 |
