![N-(1-methyloctahydro-3,5-methanocyclopenta[b]pyrrol-6-yl)-5-sulfamoyl-o-anisamide, fumarate(2.1)](/api/spectrum/CroqEZY5SEi/structure.png?h=300&w=458 "N-(1-methyloctahydro-3,5-methanocyclopenta[b]pyrrol-6-yl)-5-sulfamoyl-o-anisamide, fumarate(2.1)")
| SpectraBase Compound ID | BWuUPihIglj |
|---|---|
| InChI | InChI=1S/2C17H23N3O4S.C4H4O4/c2*1-20-8-10-5-9-6-12(10)16(20)15(9)19-17(21)13-7-11(25(18,22)23)3-4-14(13)24-2;5-3(6)1-2-4(7)8/h2*3-4,7,9-10,12,15-16H,5-6,8H2,1-2H3,(H,19,21)(H2,18,22,23);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*9-,10-,12-,15+,16+;/m00./s1 |
| InChIKey | WVOSDZBFIYQFDS-DDCNTAGOSA-N |
| Mol Weight | 846.97 g/mol |
| Molecular Formula | C38H50N6O12S2 |
| Exact Mass | 846.292813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CroqEZY5SEi |
|---|---|
| Name | N-(1-METHYLOCTAHYDRO-3,5-METHANOCYCLOPENTA[b]PYRROL-6-YL)-5-SULFAMOYL-o-ANISAMIDE, FUMARATE (2:1) |
| Source of Sample | M. Langlois, Delalande Research Center, Rueil-Malmaison, France |
| Comments | Some carbon atoms are unassigned |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H23N3O4S 1/2C4H4O4 |
| InChI | InChI=1S/2C17H23N3O4S.C4H4O4/c2*1-20-8-10-5-9-6-12(10)16(20)15(9)19-17(21)13-7-11(25(18,22)23)3-4-14(13)24-2;5-3(6)1-2-4(7)8/h2*3-4,7,9-10,12,15-16H,5-6,8H2,1-2H3,(H,19,21)(H2,18,22,23);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*9-,10-,12-,15+,16+;/m00./s1 |
| InChIKey | WVOSDZBFIYQFDS-DDCNTAGOSA-N |
| Melting Point | 224C |
| Molecular Weight | 423.49 |
| Solvent | Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20 |