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Methyl 3-butyroxymethyl-7-phthalimido-3-cephem-4-carboxylate
SpectraBase Compound ID KGgcM4L0SC4
InChI InChI=1S/C21H20N2O7S/c1-3-6-14(24)30-9-11-10-31-20-16(19(27)23(20)15(11)21(28)29-2)22-17(25)12-7-4-5-8-13(12)18(22)26/h4-5,7-8,16,20H,3,6,9-10H2,1-2H3/t16?,20-/m0/s1
InChIKey WBEAKZINQOQLFP-FZCLLLDFSA-N
Mol Weight 444.46 g/mol
Molecular Formula C21H20N2O7S
Exact Mass 444.099122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ef0CUZj9gq2
Name Methyl 3-butyroxymethyl-7-phthalimido-3-cephem-4-carboxylate
CAS Registry Number 103841-55-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O7S
InChI InChI=1S/C21H20N2O7S/c1-3-6-14(24)30-9-11-10-31-20-16(19(27)23(20)15(11)21(28)29-2)22-17(25)12-7-4-5-8-13(12)18(22)26/h4-5,7-8,16,20H,3,6,9-10H2,1-2H3/t16?,20-/m0/s1
InChIKey WBEAKZINQOQLFP-FZCLLLDFSA-N
Molecular Weight 444.458 g/mol
SMILES C1(N2C(c3ccccc3C2=O)=O)C(=O)N2[C@]1(SCC(COC(=O)CCC)=C2C(=O)OC)[H]
SPLASH splash10-000i-0920000000-6e107e6e3a463fcbae09
Source of Spectrum Y-22-1005-2
Synonyms Methyl (6S)-3-[(butyryloxy)methyl]-7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Wiley ID 1385902