| SpectraBase Compound ID | 3YOgctVjGrA |
|---|---|
| InChI | InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1 |
| InChIKey | LELBFTMXCIIKKX-MYLQJJOTSA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C23H30N2O4 |
| Exact Mass | 398.220557 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FelpCBeJxUW |
|---|---|
| Name | Speciociliatine |
| Catalog Number | 27246 |
| CAS Registry Number | 14382-79-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30N2O4 |
| InChI | InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1 |
| InChIKey | LELBFTMXCIIKKX-MYLQJJOTSA-N |
| Molecular Weight | 398.503 g/mol |
| SMILES | [nH]1c2c(c3c(cccc13)OC)CCN1[C@@]2(C[C@@]([C@@](C1)(CC)[H])(\C(C(OC)=O)=C/OC)[H])[H] |
| SPLASH | splash10-03ea-1795000000-1a2853b911adee8c8f72 |
| Source of Spectrum | CAY-2023-2139-0 |
| Wiley ID | 1890075 |