| SpectraBase Compound ID | A7lS3cKyW3t |
|---|---|
| InChI | InChI=1S/C16H15N3O6/c1-11(16(20)25-10-12-5-3-2-4-6-12)17-14-8-7-13(18(21)22)9-15(14)19(23)24/h2-9,11,17H,10H2,1H3 |
| InChIKey | CPEZWYUPMFZRMG-UHFFFAOYSA-N |
| Mol Weight | 345.31 g/mol |
| Molecular Formula | C16H15N3O6 |
| Exact Mass | 345.096085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EqeUltDMQgi |
|---|---|
| Name | N-(2,4-Dinitrophenyl)-L-alanine, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.096085209 u |
| Formula | C16H15N3O6 |
| InChI | InChI=1S/C16H15N3O6/c1-11(16(20)25-10-12-5-3-2-4-6-12)17-14-8-7-13(18(21)22)9-15(14)19(23)24/h2-9,11,17H,10H2,1H3 |
| InChIKey | CPEZWYUPMFZRMG-UHFFFAOYSA-N |
| Molecular Weight | 345.311 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC=C1NC(C(OCC=1C=CC=CC1)=O)C)N(=O)=O |