| SpectraBase Compound ID | ArDNnKxvpa |
|---|---|
| InChI | InChI=1S/C27H33N5O/c1-7-19-15-22-23(27(5,6)13-12-26(22,3)4)16-21(19)17(2)14-18-8-10-20(11-9-18)24(33)28-25-29-31-32-30-25/h8-11,14-16H,7,12-13H2,1-6H3,(H2,28,29,30,31,32,33)/b17-14+ |
| InChIKey | PQOKAKBWCHHRAU-SAPNQHFASA-N |
| Mol Weight | 443.6 g/mol |
| Molecular Formula | C27H33N5O |
| Exact Mass | 443.268511 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KtSZsbDQoC |
|---|---|
| Name | 1-(4-Tetrazolylaminocarbonyl-phenyl)-trans-2-(7-ethyl-1,1,4,4-tetramethyl)-6-tetralinyl)-propene |
| CAS Registry Number | 87634-93-3 |
| Comments | WHE-8588-34 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H33N5O |
| InChI | InChI=1S/C27H33N5O/c1-7-19-15-22-23(27(5,6)13-12-26(22,3)4)16-21(19)17(2)14-18-8-10-20(11-9-18)24(33)28-25-29-31-32-30-25/h8-11,14-16H,7,12-13H2,1-6H3,(H2,28,29,30,31,32,33)/b17-14+ |
| InChIKey | PQOKAKBWCHHRAU-SAPNQHFASA-N |
| Instrument Name | Bruker WM-360 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |