| SpectraBase Compound ID | KbxaueWZGcQ |
|---|---|
| InChI | InChI=1S/C27H43NO2/c1-15-4-9-25-16(2)19-7-8-20-21-6-5-17-10-18(29)11-26(30)27(17,3)24(21)12-22(20)23(19)14-28(25)13-15/h15-19,22-26,29-30H,4-14H2,1-3H3/t15-,16-,17?,18-,19?,22?,23?,24+,25+,26?,27-/m1/s1 |
| InChIKey | LHTRHOLWAOFBGQ-MWVVGBCDSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C27H43NO2 |
| Exact Mass | 413.32938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 55UgGyxyF2z |
|---|---|
| Name | Korselimine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.329379627 u |
| Formula | C27H43NO2 |
| InChI | InChI=1S/C27H43NO2/c1-15-4-9-25-16(2)19-7-8-20-21-6-5-17-10-18(29)11-26(30)27(17,3)24(21)12-22(20)23(19)14-28(25)13-15/h15-19,22-26,29-30H,4-14H2,1-3H3/t15-,16-,17?,18-,19?,22?,23?,24+,25+,26?,27-/m1/s1 |
| InChIKey | LHTRHOLWAOFBGQ-MWVVGBCDSA-N |
| Molecular Weight | 413.646 g/mol |
| SMILES | C12=C3[C@]([C@@]4(C(C[C@@](CC4CC3)(O)[H])O)C)([H])CC2C2CN3C[C@](C)(CC[C@]3([C@@](C2CC1)(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893668 |