![L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(phenylmethyl)-](/api/spectrum/7k32Pawv8DA/structure.png?h=300&w=458 "L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(phenylmethyl)-")
| SpectraBase Compound ID | 5tv8QAM7iXk |
|---|---|
| InChI | InChI=1S/C18H23N3O4/c1-18(2,3)25-17(23)21-15(9-14-10-19-12-20-14)16(22)24-11-13-7-5-4-6-8-13/h4-8,10,12,15H,9,11H2,1-3H3,(H,19,20)(H,21,23)/t15-/m0/s1 |
| InChIKey | JBYQOICCUFQVRE-HNNXBMFYSA-N |
| Mol Weight | 345.4 g/mol |
| Molecular Formula | C18H23N3O4 |
| Exact Mass | 345.168856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7k32Pawv8DA |
|---|---|
| Name | L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.168856229 u |
| Formula | C18H23N3O4 |
| InChI | InChI=1S/C18H23N3O4/c1-18(2,3)25-17(23)21-15(9-14-10-19-12-20-14)16(22)24-11-13-7-5-4-6-8-13/h4-8,10,12,15H,9,11H2,1-3H3,(H,19,20)(H,21,23)/t15-/m0/s1 |
| InChIKey | JBYQOICCUFQVRE-HNNXBMFYSA-N |
| Molecular Weight | 345.399 g/mol |
| SMILES | C=1NC=C(N1)C[C@@](C(OCC1=CC=CC=C1)=O)(NC(OC(C)(C)C)=O)[H] |