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Ampicillin trihydrate

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3k5sONHEkWz
Name Ampicillin trihydrate
Source of Sample Riedel-De Haen Vetranal, Sigma-Aldrich Inc.
Catalog Number 46061
Lot Number 6129X
Accessory DurasamplIR II
CAS Registry Number 7177-48-2
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N3O7S
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
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-
Technique ATR-Neat (DuraSamplIR II)