| SpectraBase Compound ID | Pg18qTzjX4 |
|---|---|
| InChI | InChI=1S/C18H19NO3/c1-13-7-6-10-15(11-13)17(20)19-16(18(21)22-2)12-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H,19,20) |
| InChIKey | WBCFPPWDOFCQMO-UHFFFAOYSA-N |
| Mol Weight | 297.35 g/mol |
| Molecular Formula | C18H19NO3 |
| Exact Mass | 297.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HogoLFZqm7v |
|---|---|
| Name | L-Phenylalanine, N-(m-toluoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.136493473 u |
| Formula | C18H19NO3 |
| InChI | InChI=1S/C18H19NO3/c1-13-7-6-10-15(11-13)17(20)19-16(18(21)22-2)12-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3,(H,19,20) |
| InChIKey | WBCFPPWDOFCQMO-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CC(C(OC)=O)NC(C1=CC(C)=CC=C1)=O |