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Cefaclor, N-(N-butyl)-, N-butyl ester

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Cefaclor, N-(N-butyl)-, N-butyl ester
SpectraBase Compound ID 6VhCxy4AJrp
InChI InChI=1S/C23H30ClN3O4S/c1-3-5-12-25-17(15-10-8-7-9-11-15)20(28)26-18-21(29)27-19(16(24)14-32-22(18)27)23(30)31-13-6-4-2/h7-11,17-18,22,25H,3-6,12-14H2,1-2H3,(H,26,28)
InChIKey MUWRILPCEXXTEL-UHFFFAOYSA-N
Mol Weight 480.02 g/mol
Molecular Formula C23H30ClN3O4S
Exact Mass 479.164555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XzhvRY4Ri9
Name Cefaclor, N-(N-butyl)-, N-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 479.164555328 u
Formula C23H30ClN3O4S
InChI InChI=1S/C23H30ClN3O4S/c1-3-5-12-25-17(15-10-8-7-9-11-15)20(28)26-18-21(29)27-19(16(24)14-32-22(18)27)23(30)31-13-6-4-2/h7-11,17-18,22,25H,3-6,12-14H2,1-2H3,(H,26,28)
InChIKey MUWRILPCEXXTEL-UHFFFAOYSA-N
Molecular Weight 480.023 g/mol
SMILES C1(Cl)=C(C(OCCCC)=O)N2C(SC1)C(C2=O)NC(=O)C(NCCCC)C1=CC=CC=C1