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Methyl 3-butoxymethyl-7-phthalimido-3-cephem-4-carboxylate

View entire compound with spectra: 1 NMR

Methyl 3-butoxymethyl-7-phthalimido-3-cephem-4-carboxylate
SpectraBase Compound ID Hy8WBNJhyvF
InChI InChI=1S/C21H22N2O6S/c1-3-4-9-29-10-12-11-30-20-16(19(26)23(20)15(12)21(27)28-2)22-17(24)13-7-5-6-8-14(13)18(22)25/h5-8,16,20H,3-4,9-11H2,1-2H3
InChIKey ZMEDKCAXHFLMCX-UHFFFAOYSA-N
Mol Weight 430.48 g/mol
Molecular Formula C21H22N2O6S
Exact Mass 430.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQCto4XgedW
Name Methyl 3-butoxymethyl-7-phthalimido-3-cephem-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 430.119857604 u
Formula C21H22N2O6S
InChI InChI=1S/C21H22N2O6S/c1-3-4-9-29-10-12-11-30-20-16(19(26)23(20)15(12)21(27)28-2)22-17(24)13-7-5-6-8-14(13)18(22)25/h5-8,16,20H,3-4,9-11H2,1-2H3
InChIKey ZMEDKCAXHFLMCX-UHFFFAOYSA-N
Molecular Weight 430.475 g/mol
SMILES C12N(C(=C(CS2)COCCCC)C(OC)=O)C(C1N1C(=O)C=2C=CC=CC2C1=O)=O