| SpectraBase Compound ID | E6jhNHMJ675 |
|---|---|
| InChI | InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | XCAKPWXDUSEAEH-HMLYJFOKSA-N |
| Mol Weight | 411.6 g/mol |
| Molecular Formula | C27H41NO2 |
| Exact Mass | 411.31373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAP3YkH45At |
|---|---|
| Name | 4-TOMATIDEN-3-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H41NO2 |
| InChI | InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | XCAKPWXDUSEAEH-HMLYJFOKSA-N |
| Literature Reference Author | N.P.VAZ,.V.COSTA,E.L.SANTOS,S.B.MIKICH,F.A.MARQUES,R.M.BRAGA ,C.DELARMELINA |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,23,361(2012) |
| Literature Reference DOI | 10.1590/s0103-50532012000200025 |
| Molecular Weight | 411.628 g/mol |
| Source File Reference | UWBT5415 |