| SpectraBase Compound ID | 6Dw1WL95qLT |
|---|---|
| InChI | InChI=1S/C16H19NO5/c18-11-3-8-1-2-17(20)6-9-4-12-13(22-7-21-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11-,14+,15-,16-,17+/m1/s1 |
| InChIKey | QNIAIGLXWYJZTF-YAYNBEJBSA-N |
| Mol Weight | 305.33 g/mol |
| Molecular Formula | C16H19NO5 |
| Exact Mass | 305.126323 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JY0OFunlBYy |
|---|---|
| Name | Pancratinine D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19NO5 |
| InChI | InChI=1S/C16H19NO5/c18-11-3-8-1-2-17(20)6-9-4-12-13(22-7-21-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11-,14+,15-,16-,17+/m1/s1 |
| InChIKey | QNIAIGLXWYJZTF-YAYNBEJBSA-N |
| Molecular Weight | 305.330 g/mol |
| SMILES | O[C@@]1(C[C@]2(CC[N@+]3([C@]2([C@@]([C@@]1(O)[H])(c1c(C3)cc2OCOc2c1)[H])[H])[O-])[H])[H] |
| SPLASH | splash10-002r-0792000000-bb7f619c91d24875767e |
| Source of Spectrum | G4-72-115-4 |
| Wiley ID | 1702238 |