| SpectraBase Spectrum ID |
6jt88NYKiLZ |
| Name |
(4aS,4bR,10bS,12aR)-3-(bromomethyl)-8-methoxy-12a-methyl-2-oxido-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]isoquinolin-2-ium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26BrNO2 |
| InChI |
InChI=1S/C20H26BrNO2/c1-20-8-7-17-16-6-4-15(24-2)9-13(16)3-5-18(17)19(20)10-14(11-21)22(23)12-20/h4,6,9,12,14,17-19H,3,5,7-8,10-11H2,1-2H3/t14?,17-,18-,19+,20+/m1/s1 |
| InChIKey |
ZENFLLKTPJKINF-SXKFPKQISA-N |
| Instrument Name |
Varian MAT 311A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0011.b10 |
| Molecular Weight |
392.337 g/mol |
| SMILES |
c1cc2c(cc1OC)CC[C@@]1([C@@]2(CC[C@@]2([C@@]1([H])CC([N+](=C2)[O-])CBr)C)[H])[H] |
| SPLASH |
splash10-0007-9000000000-115cfefd151d4f24011c |
| Source of Spectrum |
ARK-2010-111-10a |
| Thin-Layer Chromatography |
Rf = 0.25 (ethyl acetate) |
| Wiley ID |
1869940 |
![(4aS,4bR,10bS,12aR)-3-(bromomethyl)-8-methoxy-12a-methyl-2-oxido-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]isoquinolin-2-ium](/api/spectrum/6jt88NYKiLZ/structure.png?h=300&w=458 "(4aS,4bR,10bS,12aR)-3-(bromomethyl)-8-methoxy-12a-methyl-2-oxido-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]isoquinolin-2-ium")
