| SpectraBase Compound ID | B9kLUcJjvYY |
|---|---|
| InChI | InChI=1S/C16H17NO4/c18-10-1-2-16(19)12-7-17(15(16)4-10)6-9-3-13-14(5-11(9)12)21-8-20-13/h1-3,5,10,12,15,18-19H,4,6-8H2/t10-,12?,15+,16-/m1/s1 |
| InChIKey | KZMQNHULHMTPCD-JHCSHODRSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DestsIiOAFn |
|---|---|
| Name | Pancratinine C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c18-10-1-2-16(19)12-7-17(15(16)4-10)6-9-3-13-14(5-11(9)12)21-8-20-13/h1-3,5,10,12,15,18-19H,4,6-8H2/t10-,12?,15+,16-/m1/s1 |
| InChIKey | KZMQNHULHMTPCD-JHCSHODRSA-N |
| Molecular Weight | 287.315 g/mol |
| SMILES | O[C@]1(C[C@@]2(N3Cc4c(C([C@@]2(C=C1)O)C3)cc1OCOc1c4)[H])[H] |
| SPLASH | splash10-002r-0950000000-28011db8ffac2e62676c |
| Source of Spectrum | G4-72-115-3 |
| Wiley ID | 1702239 |