| SpectraBase Spectrum ID |
2Gxf1BglZvY |
| Name |
(-)-(1R,4S)-12-Allyl-2-(4-methoxybenzyl)-6-methyl-2,3,4,5-tetrahydro-4,1-iminomethano-1H-azepino[3,4-b]quinoline |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H29N3O |
| InChI |
InChI=1S/C26H29N3O/c1-4-13-28-17-25-26-23(18(2)22-7-5-6-8-24(22)27-26)14-20(28)16-29(25)15-19-9-11-21(30-3)12-10-19/h4-12,20,25H,1,13-17H2,2-3H3/t20-,25+/m0/s1 |
| InChIKey |
UJYVTFBXRHKUFI-NBGIEHNGSA-N |
| Instrument Name |
Thermo-Finnigan MAT GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801522j |
| Molecular Weight |
399.538 g/mol |
| Optical Rotation |
[a]D20 = -42.4 (c = 0.39, CH2Cl2) |
| SMILES |
c12c(C[C@@]3(N(C[C@]2(N(C3)Cc2ccc(cc2)OC)[H])CC=C)[H])c(c2c(n1)cccc2)C |
| SPLASH |
splash10-004j-0495000000-69003814cd9ca05e768d |
| Source of Spectrum |
AF-52-SM38-23a |
| Thin-Layer Chromatography |
Rf = 0.05 (CH2Cl2/methanol, 50:1) |
| Wiley ID |
1873845 |
![(-)-(1R,4S)-12-Allyl-2-(4-methoxybenzyl)-6-methyl-2,3,4,5-tetrahydro-4,1-iminomethano-1H-azepino[3,4-b]quinoline](/api/spectrum/2Gxf1BglZvY/structure.png?h=300&w=458 "(-)-(1R,4S)-12-Allyl-2-(4-methoxybenzyl)-6-methyl-2,3,4,5-tetrahydro-4,1-iminomethano-1H-azepino[3,4-b]quinoline")
