| SpectraBase Compound ID | 8AtbCJFgZze |
|---|---|
| InChI | InChI=1S/C18H19NO4/c1-22-15-10-6-9-14(12-15)17(20)19-16(18(21)23-2)11-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,19,20) |
| InChIKey | KKEYBYFADKWFPE-UHFFFAOYSA-N |
| Mol Weight | 313.35 g/mol |
| Molecular Formula | C18H19NO4 |
| Exact Mass | 313.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Erx31kqSeh |
|---|---|
| Name | L-Phenylalanine, N-(m-anisoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.131408092 u |
| Formula | C18H19NO4 |
| InChI | InChI=1S/C18H19NO4/c1-22-15-10-6-9-14(12-15)17(20)19-16(18(21)23-2)11-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,19,20) |
| InChIKey | KKEYBYFADKWFPE-UHFFFAOYSA-N |
| Molecular Weight | 313.353 g/mol |
| SMILES | COC1=CC(=CC=C1)C(NC(C(OC)=O)CC1=CC=CC=C1)=O |