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Ampicillin trihydrate
SpectraBase Compound ID 5RxUkni665H
InChI InChI=1S/C16H19N3O4S.3H2O/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);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
InChIKey RXDALBZNGVATNY-CWLIKTDRSA-N
Mol Weight 403.45 g/mol
Molecular Formula C16H25N3O7S
Exact Mass 403.141321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2RHTBmbIDo
Name D-(-)-6-(2-AMINO-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, TRIHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 7177-48-2
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O4S 3H2O
InChI InChI=1S/C16H19N3O4S.3H2O/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);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
InChIKey RXDALBZNGVATNY-CWLIKTDRSA-N
Molecular Weight 405.47
Solvent Deuterium oxide/Deuterium chloride; Reference=Dioxane Spectrometer= Varian CFT-20