| SpectraBase Compound ID | K8MKSivyypb |
|---|---|
| InChI | InChI=1S/C15H21N3O4/c16-9-5-4-8-12(15(22)17-10-13(19)20)18-14(21)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,16H2,(H,17,22)(H,18,21)(H,19,20) |
| InChIKey | TWVWMTFUHNIYQU-UHFFFAOYSA-N |
| Mol Weight | 307.35 g/mol |
| Molecular Formula | C15H21N3O4 |
| Exact Mass | 307.153206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77IoXn2Astm |
|---|---|
| Name | .alpha.-Benzoyllysylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.153206164 u |
| Formula | C15H21N3O4 |
| InChI | InChI=1S/C15H21N3O4/c16-9-5-4-8-12(15(22)17-10-13(19)20)18-14(21)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,16H2,(H,17,22)(H,18,21)(H,19,20) |
| InChIKey | TWVWMTFUHNIYQU-UHFFFAOYSA-N |
| Molecular Weight | 307.350 g/mol |
| SMILES | C(CCCC(C(NCC(O)=O)=O)NC(=O)C1=CC=CC=C1)N |