| SpectraBase Compound ID | 6rs5ZSfQoKg |
|---|---|
| InChI | InChI=1S/C13H19N3O6/c1-4-21-12(18)15-10(11(17)20-3)6-9-7-14-8-16(9)13(19)22-5-2/h7-8,10H,4-6H2,1-3H3,(H,15,18) |
| InChIKey | AHBXNMGELUXPQN-UHFFFAOYSA-N |
| Mol Weight | 313.31 g/mol |
| Molecular Formula | C13H19N3O6 |
| Exact Mass | 313.127385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IvtE98i6Ds |
|---|---|
| Name | L-Histidine, N,N'-bis(ethoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.127385338 u |
| Formula | C13H19N3O6 |
| InChI | InChI=1S/C13H19N3O6/c1-4-21-12(18)15-10(11(17)20-3)6-9-7-14-8-16(9)13(19)22-5-2/h7-8,10H,4-6H2,1-3H3,(H,15,18) |
| InChIKey | AHBXNMGELUXPQN-UHFFFAOYSA-N |
| Molecular Weight | 313.310 g/mol |
| SMILES | C(CC1=CN=CN1C(OCC)=O)(C(OC)=O)NC(OCC)=O |