| SpectraBase Compound ID | 8t71tqAvIc |
|---|---|
| InChI | InChI=1S/C14H15N3O3/c1-20-14(19)12-16-9-11(17-12)7-8-15-13(18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,18)(H,16,17) |
| InChIKey | QHBPJXRXLGBCEK-UHFFFAOYSA-N |
| Mol Weight | 273.29 g/mol |
| Molecular Formula | C14H15N3O3 |
| Exact Mass | 273.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Wb1gHNfaSc |
|---|---|
| Name | Histamine, N-benzoyl-2-methoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.111341352 u |
| Formula | C14H15N3O3 |
| InChI | InChI=1S/C14H15N3O3/c1-20-14(19)12-16-9-11(17-12)7-8-15-13(18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,18)(H,16,17) |
| InChIKey | QHBPJXRXLGBCEK-UHFFFAOYSA-N |
| SMILES | C1(=CN=C(N1)C(=O)OC)CCNC(=O)C1=CC=CC=C1 |