| SpectraBase Spectrum ID |
D4m8TpGm8Dd |
| Name |
(1S,4S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)propan-2-yl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.141884511 u |
| Formula |
C27H27Cl2NO2 |
| InChI |
InChI=1S/C27H27Cl2NO2/c1-17(13-18-7-12-26-27(14-18)32-16-31-26)30(2)25-11-9-20(21-5-3-4-6-22(21)25)19-8-10-23(28)24(29)15-19/h3-8,10,12,14-15,17,20,25H,9,11,13,16H2,1-2H3/t17-,20+,25+/m1/s1 |
| InChIKey |
QBSMZYZOKKXADI-AUBMYDRESA-N |
| Instrument Name |
Finnigan MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202304445 |
| Molecular Weight |
468.424 g/mol |
| Optical Rotation |
[a]D20 = 11.3 (c = 1.3, CHCl3) |
| Quality |
82 |
| Reported Formula |
C27H27Cl2NO2 |
| SMILES |
C12=CC(=CC=C2OCO1)C[C@](N(C)[C@]1(CC[C@](C2=C1C=CC=C2)(C1=CC=C(C(=C1)Cl)Cl)[H])[H])(C)[H] |
| SPLASH |
splash10-0a4i-7914000000-d27fa9b2284f24caea25 |
| Sample Comments |
84% ee, dr = 92:8 |
| Source of Spectrum |
ACI-62-SM51-1ah (DOI: 10.1002/anie.202304445) |
| Wiley ID |
1911117 |
![(1S,4S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)propan-2-yl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine](/api/spectrum/D4m8TpGm8Dd/structure.png?h=300&w=458 "(1S,4S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)propan-2-yl)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine")
