| SpectraBase Compound ID | D3soqYiSqeB |
|---|---|
| InChI | InChI=1S/C14H21N3O6/c1-3-5-22-13(20)16-11(12(18)19)7-10-8-15-9-17(10)14(21)23-6-4-2/h8-9,11H,3-7H2,1-2H3,(H,16,20)(H,18,19) |
| InChIKey | FUYPRCVDPBFBJG-UHFFFAOYSA-N |
| Mol Weight | 327.34 g/mol |
| Molecular Formula | C14H21N3O6 |
| Exact Mass | 327.143035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51Wj6VjhyWl |
|---|---|
| Name | L-Histidine, N,N'-bis(N-propyloxycarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.143035402 u |
| Formula | C14H21N3O6 |
| InChI | InChI=1S/C14H21N3O6/c1-3-5-22-13(20)16-11(12(18)19)7-10-8-15-9-17(10)14(21)23-6-4-2/h8-9,11H,3-7H2,1-2H3,(H,16,20)(H,18,19) |
| InChIKey | FUYPRCVDPBFBJG-UHFFFAOYSA-N |
| Molecular Weight | 327.337 g/mol |
| SMILES | C(CC1=CN=CN1C(OCCC)=O)(C(O)=O)NC(OCCC)=O |