| SpectraBase Spectrum ID |
GnkHpkTRKNa |
| Name |
3,3,6,6,9-Pentamethyl-2-azonia-10-azabicyclo[4.4.0]dec-1-ene 6,7-oxybicyclo[2.2.2]oct-2-yl sulfate |
| CAS Registry Number |
77773-86-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36N2O5S |
| InChI |
InChI=1S/C13H24N2.C8H12O5S/c1-11(2)6-8-13(5)9-7-12(3,4)15-10(13)14-11;9-14(10,11)13-7-3-4-1-5-8(7)6(2-4)12-5/h6-9H2,1-5H3,(H,14,15);4-8H,1-3H2,(H,9,10,11)/t;4-,5-,6+,7-,8+/m.0/s1 |
| InChIKey |
VHWGXQRJQNHVGW-JVYWBLKESA-N |
| Molecular Weight |
428.588 g/mol |
| SMILES |
OS(O[C@@]1([C@]2([C@@]3(C[C@@](C1)(C[C@]2(O3)[H])[H])[H])[H])[H])(=O)=O.N1C(CCC2(CCC(N=C12)(C)C)C)(C)C |
| SPLASH |
splash10-0006-9300000000-f305288971b58f86f8a2 |
| Source of Spectrum |
J-46-3147-0 |
| Synonyms |
8-Oxatricyclo[3.3.1.0(2,7)]non-3-yl hydrogen sulfate compound with 2,2,4a,7,7-pentamethyl-1,2,3,4,4a,5,6,7-octahydro[1,8]naphthyridine (1:1) |
| Wiley ID |
1380613 |
![3,3,6,6,9-Pentamethyl-2-azonia-10-azabicyclo[4.4.0]dec-1-ene 6,7-oxybicyclo[2.2.2]oct-2-yl sulfate](/api/spectrum/GnkHpkTRKNa/structure.png?h=300&w=458 "3,3,6,6,9-Pentamethyl-2-azonia-10-azabicyclo[4.4.0]dec-1-ene 6,7-oxybicyclo[2.2.2]oct-2-yl sulfate")
