| SpectraBase Compound ID | 3k4z4L3IWGs |
|---|---|
| InChI | InChI=1S/C15H17N3O3/c1-2-21-15(20)13-17-10-12(18-13)8-9-16-14(19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,19)(H,17,18) |
| InChIKey | NXDNEHKRPFZFKJ-UHFFFAOYSA-N |
| Mol Weight | 287.32 g/mol |
| Molecular Formula | C15H17N3O3 |
| Exact Mass | 287.126991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sgPZpfP3hC |
|---|---|
| Name | Histamine, N-benzoyl-2-ethoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.126991416 u |
| Formula | C15H17N3O3 |
| InChI | InChI=1S/C15H17N3O3/c1-2-21-15(20)13-17-10-12(18-13)8-9-16-14(19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,19)(H,17,18) |
| InChIKey | NXDNEHKRPFZFKJ-UHFFFAOYSA-N |
| SMILES | C=1(NC=C(N1)CCNC(C1=CC=CC=C1)=O)C(=O)OCC |