| SpectraBase Compound ID | KTW4l34ukQV |
|---|---|
| InChI | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3 |
| InChIKey | QVCMHGGNRFRMAD-UHFFFAOYSA-N |
| Mol Weight | 325.36 g/mol |
| Molecular Formula | C16H23NO6 |
| Exact Mass | 325.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUfYsxVCfpt |
|---|---|
| Name | Monocrotaline |
| CAS Registry Number | 315-22-0 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C16H23NO6 |
| InChI | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3 |
| InChIKey | QVCMHGGNRFRMAD-UHFFFAOYSA-N |
| Literature Reference | R. Molyneux, J. Roitman, Phytochem. 21, 439 (1982). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |