| SpectraBase Spectrum ID |
BrQ7at5mOaP |
| Name |
(3aR,6S,10aS,10bS)-2,2-Dimethyl-6-phenyl-3a,6,7,10,10a,10b-hexahydro-4H-[1,3]dioxolo[3,4]pyrrolo[1,2-a]azepine |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.172878983 u |
| Formula |
C18H23NO2 |
| InChI |
InChI=1S/C18H23NO2/c1-18(2)20-16-12-19-14(13-8-4-3-5-9-13)10-6-7-11-15(19)17(16)21-18/h3-9,14-17H,10-12H2,1-2H3/t14-,15-,16+,17-/m0/s1 |
| InChIKey |
UBHZKSLRWHIKCK-NXOAAHMSSA-N |
| Instrument Name |
QMD 1000 Carlo Erba |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1186/1860-5397-3-44 |
| Optical Rotation |
[a]D28 = -13 (c = 0.72, CH2Cl2). |
| Quality |
295 |
| SMILES |
[C@@]12(N(C[C@@]3([C@]2(OC(O3)(C)C)[H])[H])[C@@](CC=CC1)(C1=CC=CC=C1)[H])[H] |
| SPLASH |
splash10-015c-2890000000-5f7ccaec5ea1eaf5f842 |
| Source of Spectrum |
BJO-3-SM9-20 (DOI: 10.1186/1860-5397-3-44) |
| Thin-Layer Chromatography |
0.48 (ethyl acetate/petroleum ether, 1:20) |
| Wiley ID |
1908980 |
![(3aR,6S,10aS,10bS)-2,2-Dimethyl-6-phenyl-3a,6,7,10,10a,10b-hexahydro-4H-[1,3]dioxolo[3,4]pyrrolo[1,2-a]azepine](/api/spectrum/BrQ7at5mOaP/structure.png?h=300&w=458 "(3aR,6S,10aS,10bS)-2,2-Dimethyl-6-phenyl-3a,6,7,10,10a,10b-hexahydro-4H-[1,3]dioxolo[3,4]pyrrolo[1,2-a]azepine")
