| SpectraBase Spectrum ID |
2QLl4k69Kfa |
| Name |
7-t-butoxy-4-(4'-methylphenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane |
| Alternate Name(s) |
7-butoxy-4-[(4-methylphenyl)sulfonyl]-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
butyl 4-[(4-methylphenyl)sulfonyl]-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]oct-7-yl ether |
| CAS Registry Number |
136708-46-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H23NO3S |
| InChI |
InChI=1S/C18H23NO3S/c1-3-4-9-22-18-14-12-13(14)17-15(18)16(12)19(17)23(20,21)11-7-5-10(2)6-8-11/h5-8,12-18H,3-4,9H2,1-2H3/t12-,13+,14-,15+,16-,17+,18? |
| InChIKey |
KHQWEKNMYJCLIO-NNVGJESGSA-N |
| Molecular Weight |
333.446 g/mol |
| SMILES |
c1(S(N2[C@]3([C@]4([C@]5([C@@]2([C@]3(C(OCCCC)[C@]45[H])[H])[H])[H])[H])[H])(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-004i-0091000000-3380148732407774fe16 |
| Source of Spectrum |
K-124-2890-1 |
| Wiley ID |
1330205 |
![7-t-butoxy-4-(4'-methylphenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane](/api/spectrum/2QLl4k69Kfa/structure.png?h=300&w=458 "7-t-butoxy-4-(4'-methylphenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane")
