| SpectraBase Compound ID | ECBop7jQdwe |
|---|---|
| InChI | InChI=1S/C17H20N4O5/c22-15(21-14(16(23)24)8-13-9-18-11-20-13)6-7-19-17(25)26-10-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10H2,(H,18,20)(H,19,25)(H,21,22)(H,23,24) |
| InChIKey | PPVXINSOEHGBIV-UHFFFAOYSA-N |
| Mol Weight | 360.37 g/mol |
| Molecular Formula | C17H20N4O5 |
| Exact Mass | 360.14337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3U2EE4Y4Vy6 |
|---|---|
| Name | N-cbz-Carnosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.143369755 u |
| Formula | C17H20N4O5 |
| InChI | InChI=1S/C17H20N4O5/c22-15(21-14(16(23)24)8-13-9-18-11-20-13)6-7-19-17(25)26-10-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10H2,(H,18,20)(H,19,25)(H,21,22)(H,23,24) |
| InChIKey | PPVXINSOEHGBIV-UHFFFAOYSA-N |
| Molecular Weight | 360.370 g/mol |
| SMILES | C1=C(C=CC=C1)COC(NCCC(=O)NC(CC1=CN=CN1)C(O)=O)=O |