| SpectraBase Compound ID | 7wNyh051fnn |
|---|---|
| InChI | InChI=1S/C17H16N2O5/c1-12(20)18-16(11-13-5-3-2-4-6-13)17(21)24-15-9-7-14(8-10-15)19(22)23/h2-10,16H,11H2,1H3,(H,18,20) |
| InChIKey | OBFGGGOSBTXXCS-UHFFFAOYSA-N |
| Mol Weight | 328.32 g/mol |
| Molecular Formula | C17H16N2O5 |
| Exact Mass | 328.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6nW23WR5tc |
|---|---|
| Name | N-Acetyl-dl-phenylalanine p-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.105921618 u |
| Formula | C17H16N2O5 |
| InChI | InChI=1S/C17H16N2O5/c1-12(20)18-16(11-13-5-3-2-4-6-13)17(21)24-15-9-7-14(8-10-15)19(22)23/h2-10,16H,11H2,1H3,(H,18,20) |
| InChIKey | OBFGGGOSBTXXCS-UHFFFAOYSA-N |
| Molecular Weight | 328.324 g/mol |
| SMILES | C(NC(C)=O)(C(OC1=CC=C(C=C1)N(=O)=O)=O)CC1=CC=CC=C1 |