![L-(+)-[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethylammonium hydroxide, inner salt, monohydrochloride, dihydrate](/api/spectrum/80PlqLxUPiL/structure.png?h=300&w=458 "L-(+)-[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethylammonium hydroxide, inner salt, monohydrochloride, dihydrate")
| SpectraBase Compound ID | AqkdQ0GXm5g |
|---|---|
| InChI | InChI=1S/C9H15N3O2S.ClH.2H2O/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6;;;/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15);1H;2*1H2 |
| InChIKey | KOELBNAURLPTFS-UHFFFAOYSA-N |
| Mol Weight | 301.789 g/mol |
| Molecular Formula | C9H20ClN3O4S |
| Exact Mass | 301.086305 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80PlqLxUPiL |
|---|---|
| Name | L-(+)-[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethylammonium hydroxide, inner salt, monohydrochloride, dihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H20ClN3O4S |
| InChI | InChI=1S/C9H15N3O2S.ClH.2H2O/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6;;;/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15);1H;2*1H2 |
| InChIKey | KOELBNAURLPTFS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 27482M |
| Solvent | D2O |