| SpectraBase Compound ID | 8h6VSBme6RT |
|---|---|
| InChI | InChI=1S/C17H21N5O/c1-14(23)16(13-21-11-7-2-3-8-12-21)17-18-19-20-22(17)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3 |
| InChIKey | AZDKNXYGOWIQCL-UHFFFAOYSA-N |
| Mol Weight | 311.39 g/mol |
| Molecular Formula | C17H21N5O |
| Exact Mass | 311.17461 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3Ubc9BWCC1 |
|---|---|
| Name | 4-(Hexahydro-1H-azepin-1-yl)-3-(1-phenyl-1H-tetrazol-5-yl)-3-buten-2-one |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21N5O |
| InChI | InChI=1S/C17H21N5O/c1-14(23)16(13-21-11-7-2-3-8-12-21)17-18-19-20-22(17)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3 |
| InChIKey | AZDKNXYGOWIQCL-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52838M |
| Solvent | CDCl3 |