| SpectraBase Spectrum ID |
DU2t330cycH |
| Name |
Diethylmalonic acid, 2-fluorophenyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.361488217 u |
| Formula |
C30H49FO4 |
| InChI |
InChI=1S/C30H49FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-28(32)30(5-2,6-3)29(33)35-27-24-21-20-23-26(27)31/h20-21,23-24H,4-19,22,25H2,1-3H3 |
| InChIKey |
IWRDUVBECOFNTL-UHFFFAOYSA-N |
| Molecular Weight |
492.716 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812807 |
