| SpectraBase Compound ID | 2wLvppzuAnZ |
|---|---|
| InChI | InChI=1S/C21H21N3O4/c25-20(26)19(23-21(27)28-14-17-9-5-2-6-10-17)11-18-13-24(15-22-18)12-16-7-3-1-4-8-16/h1-10,13,15,19H,11-12,14H2,(H,23,27)(H,25,26) |
| InChIKey | RSDRIMXAOFFQMC-UHFFFAOYSA-N |
| Mol Weight | 379.42 g/mol |
| Molecular Formula | C21H21N3O4 |
| Exact Mass | 379.153206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sPTAPeyenT |
|---|---|
| Name | N-cbz-im-Benzyl-L-histidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.153206164 u |
| Formula | C21H21N3O4 |
| InChI | InChI=1S/C21H21N3O4/c25-20(26)19(23-21(27)28-14-17-9-5-2-6-10-17)11-18-13-24(15-22-18)12-16-7-3-1-4-8-16/h1-10,13,15,19H,11-12,14H2,(H,23,27)(H,25,26) |
| InChIKey | RSDRIMXAOFFQMC-UHFFFAOYSA-N |
| Molecular Weight | 379.416 g/mol |
| SMILES | C=1N(C=C(N1)CC(C(O)=O)NC(=O)OCC1=CC=CC=C1)CC1=CC=CC=C1 |