| SpectraBase Compound ID | 3lkkeW48nNl |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(28)29-25-26-22-19-18-20-23-26/h18-20,22-23H,2-17,21,24-25H2,1H3 |
| InChIKey | MFBVDRDCUYGRCJ-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JuvjitOnR0G |
|---|---|
| Name | Eicosanoic acid, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(28)29-25-26-22-19-18-20-23-26/h18-20,22-23H,2-17,21,24-25H2,1H3 |
| InChIKey | MFBVDRDCUYGRCJ-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C(C1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCCC |