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Ampicillin
SpectraBase Compound ID 63qYYDTvMvO
InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14?/m1/s1
InChIKey AVKUERGKIZMTKX-YKLVJOERSA-N
Mol Weight 349.41 g/mol
Molecular Formula C16H19N3O4S
Exact Mass 349.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJS0AhICzbY
Name Ampicillin
Alternate Name(s) (2S,6R)-6-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,6R)-6-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Formula C16H19N3O4S
InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14?/m1/s1
InChIKey AVKUERGKIZMTKX-YKLVJOERSA-N
Molecular Weight 349.405 g/mol
SMILES OC([C@]1(C(SC2N1C([C@]2(NC([C@@](c1ccccc1)(N)[H])=O)[H])=O)(C)C)[H])=O
SPLASH splash10-0bt9-0921000000-e5c97c3d00a80a298157
Source of Spectrum JA-7-737-0
Wiley ID 1341280