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Mecillinam

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

Mecillinam
SpectraBase Compound ID 89de3KIsIKn
InChI InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/b16-9+/t10-,11+,13-/m1/s1
InChIKey BWWVAEOLVKTZFQ-ISVUSNJMSA-N
Mol Weight 325.43 g/mol
Molecular Formula C15H23N3O3S
Exact Mass 325.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID q4TqlpwPSX
Name 6R-MECILLINAM-HYDROCHLORIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H23N3O3S
InChI InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/b16-9+/t10-,11+,13-/m1/s1
InChIKey BWWVAEOLVKTZFQ-ISVUSNJMSA-N
Literature Reference Author S.K.BRANCH,A.F.CASY,A.LIPCZYNSKI,E.M.A.OMINDE
Literature Reference Citation MAGN.RES.CHEM.,24,465(1986)
Literature Reference DOI 10.1002/mrc.1260240602
Molecular Weight 325.426 g/mol
Solvent D2O
Source File Reference UNIW22354