| SpectraBase Compound ID | LBR4oylMj85 |
|---|---|
| InChI | InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1 |
| InChIKey | BXRMEWOQUXOLDH-UHFFFAOYSA-O |
| Mol Weight | 170.19 g/mol |
| Molecular Formula | C7H12N3O2 |
| Exact Mass | 170.092952 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DklP6aFjAdG |
|---|---|
| Name | Histidine methyl ester cation |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12N3O2 |
| InChI | InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1 |
| InChIKey | BXRMEWOQUXOLDH-UHFFFAOYSA-O |
| Literature Reference | P.S. Pregosin, E.W. Randall, A.I.White, J. Chem. Soc. Chem. Comm. 1602 (1971). |
| NMR Standard | CH3NO2 |
| Observed nucleus | 15N |
| Solvent | H2O |