| SpectraBase Compound ID | LEfjIUkuOUI |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-3-4-5-6-10-13-17(20)19-16(18(21)22-2)14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,19,20) |
| InChIKey | OUCOUUMRVGYPMW-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqAvQB0fBP6 |
|---|---|
| Name | L-Phenylalanine, N-capryloyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-3-4-5-6-10-13-17(20)19-16(18(21)22-2)14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,19,20) |
| InChIKey | OUCOUUMRVGYPMW-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CC(C(OC)=O)NC(CCCCCCC)=O |