| SpectraBase Spectrum ID |
BVdAGj7YoHG |
| Name |
(1S,2R,9S,10R)-3-(4-methylphenyl)-4,7-diazatetracyclo[8.2.1.0(2,9).0(3,7)]tridecan-8-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N2O |
| InChI |
InChI=1S/C18H22N2O/c1-11-2-6-14(7-3-11)18-16-13-5-4-12(10-13)15(16)17(21)20(18)9-8-19-18/h2-3,6-7,12-13,15-16,19H,4-5,8-10H2,1H3/t12-,13+,15+,16-,18?/m1/s1 |
| InChIKey |
IUPKVFSHGXDZBY-DJRWDAAOSA-N |
| Instrument Name |
VG Analytical MM 7070E |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/rcm.1290081013 |
| Molecular Weight |
282.387 g/mol |
| SMILES |
N1C2(N(CC1)C([C@@]1([C@]2([C@]2(CC[C@@]1(C2)[H])[H])[H])[H])=O)c1ccc(cc1)C |
| SPLASH |
splash10-0fsi-2590000000-c69298b8f6e01ff70df1 |
| Sample Comments |
Diendo-isomer |
| Source of Spectrum |
RCM-8-860-5 |
| Wiley ID |
1835605 |
![(1S,2R,9S,10R)-3-(4-methylphenyl)-4,7-diazatetracyclo[8.2.1.0(2,9).0(3,7)]tridecan-8-one](/api/spectrum/BVdAGj7YoHG/structure.png?h=300&w=458 "(1S,2R,9S,10R)-3-(4-methylphenyl)-4,7-diazatetracyclo[8.2.1.0(2,9).0(3,7)]tridecan-8-one")
