| SpectraBase Compound ID | HEefIsF9Rc0 |
|---|---|
| InChI | InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1 |
| InChIKey | DBODJJZRZFZBBD-NFRQMPIISA-N |
| Mol Weight | 451.6 g/mol |
| Molecular Formula | C25H41NO6 |
| Exact Mass | 451.293388 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5QEdXZx6Flv |
|---|---|
| Name | 1-(epi)-1-O-Methylneoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H41NO6 |
| InChI | InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1 |
| InChIKey | DBODJJZRZFZBBD-NFRQMPIISA-N |
| Molecular Weight | 451.604 g/mol |
| SMILES | O[C@]1([C@@]2(C[C@@]3([C@]1([C@@]([C@@]1([C@@]4([C@@]33[C@]([C@]1(OC)[H])([C@@](CN4CC)(COC)CC[C@]3(OC)[H])[H])[H])[H])(C[C@@]2(OC)[H])O)[H])[H])[H])[H] |
| SPLASH | splash10-007a-9000600000-be82cfc5e603973fbed6 |
| Source of Spectrum | X2-52-150-10 |
| Wiley ID | 1603018 |