![6-Amino-5-{[(4-methylphenyl)sulfonyl]amino}-6-oxo-1-hexanaminium acetate](/api/spectrum/GrwUuHFl4Bc/structure.png?h=300&w=458 "6-Amino-5-{[(4-methylphenyl)sulfonyl]amino}-6-oxo-1-hexanaminium acetate")
| SpectraBase Compound ID | ABMgBVNped1 |
|---|---|
| InChI | InChI=1S/C13H21N3O3S.C2H4O2/c1-10-5-7-11(8-6-10)20(18,19)16-12(13(15)17)4-2-3-9-14;1-2(3)4/h5-8,12,16H,2-4,9,14H2,1H3,(H2,15,17);1H3,(H,3,4) |
| InChIKey | HEJNBICVKIJPHN-UHFFFAOYSA-N |
| Mol Weight | 359.44 g/mol |
| Molecular Formula | C15H25N3O5S |
| Exact Mass | 359.151492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GrwUuHFl4Bc |
|---|---|
| Name | 6-Amino-5-{[(4-methylphenyl)sulfonyl]amino}-6-oxo-1-hexanaminium acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.151492086 u |
| Formula | C15H25N3O5S |
| InChI | InChI=1S/C13H21N3O3S.C2H4O2/c1-10-5-7-11(8-6-10)20(18,19)16-12(13(15)17)4-2-3-9-14;1-2(3)4/h5-8,12,16H,2-4,9,14H2,1H3,(H2,15,17);1H3,(H,3,4) |
| InChIKey | HEJNBICVKIJPHN-UHFFFAOYSA-N |
| SMILES | CC(=O)[O-].N(S(C1=CC=C(C=C1)C)(=O)=O)C(C(=O)N)CCCC[NH3+] |