| SpectraBase Compound ID | 1qbj0h2RLY0 |
|---|---|
| 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/t9-,11+,12+,15+,16-/m0/s1 |
| InChIKey | QVCMHGGNRFRMAD-XFGHUUIASA-N |
| Mol Weight | 325.36 g/mol |
| Molecular Formula | C16H23NO6 |
| Exact Mass | 325.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | AJRXpwTnF0T |
|---|---|
| Name | Crotaline |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 270288 |
| CAS Registry Number | 315-22-0 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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/t9-,11+,12+,15+,16-/m0/s1 |
| InChIKey | QVCMHGGNRFRMAD-XFGHUUIASA-N |
| Observed nucleus | 13C |
| Purity | 99% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Monocrotaline |
| Wiley ID | SIAL_13CNMR_004906 |