| SpectraBase Compound ID | KOZKeUFN3Qr |
|---|---|
| InChI | InChI=1S/C12H13N3O/c16-12(10-4-2-1-3-5-10)14-7-6-11-8-13-9-15-11/h1-5,8-9H,6-7H2,(H,13,15)(H,14,16) |
| InChIKey | DAUCLDROLUGJDY-UHFFFAOYSA-N |
| Mol Weight | 215.26 g/mol |
| Molecular Formula | C12H13N3O |
| Exact Mass | 215.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dMvg42vEOE |
|---|---|
| Name | Histamine, N-benzoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.105862050 u |
| Formula | C12H13N3O |
| InChI | InChI=1S/C12H13N3O/c16-12(10-4-2-1-3-5-10)14-7-6-11-8-13-9-15-11/h1-5,8-9H,6-7H2,(H,13,15)(H,14,16) |
| InChIKey | DAUCLDROLUGJDY-UHFFFAOYSA-N |
| Molecular Weight | 215.256 g/mol |
| SMILES | C1=NC(CCNC(C2=CC=CC=C2)=O)=CN1 |