| SpectraBase Compound ID | 65SqL81541T |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-22-18(21)16(13-15-9-3-2-4-10-15)19-17(20)12-11-14-7-5-6-8-14/h2-4,9-10,14,16H,5-8,11-13H2,1H3,(H,19,20) |
| InChIKey | QFAPOGGWKDCBDP-UHFFFAOYSA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iviu0hY1OOJ |
|---|---|
| Name | L-Phenylalanine, N-(3-cyclopentylpropionyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.183443666 u |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-22-18(21)16(13-15-9-3-2-4-10-15)19-17(20)12-11-14-7-5-6-8-14/h2-4,9-10,14,16H,5-8,11-13H2,1H3,(H,19,20) |
| InChIKey | QFAPOGGWKDCBDP-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CC(C(OC)=O)NC(=O)CCC1CCCC1 |