SpectraBase Compound ID | AqkdQ0GXm5g |
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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 |
SpectraBase Spectrum ID | 3XzALBqcBVi |
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Name | 1-(+)-[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethylammonium hydroxy inner salt, monohydrochloride, dihydrate |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 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 |
Sadtler IR Number | 52321 |
Sadtler UV Number | 27398N |
Solvent | Methanol |