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Methyl 7-methoxycarbonylamino-3-methyl-3-cephem-4-carboxylate 1,1-dioxide
SpectraBase Compound ID 7ww2su2Ks9o
InChI InChI=1S/C11H14N2O7S/c1-5-4-21(17,18)9-6(12-11(16)20-3)8(14)13(9)7(5)10(15)19-2/h6,9H,4H2,1-3H3,(H,12,16)/t6?,9-/m0/s1
InChIKey JEWOQTYSAILLDD-HSOSERFQSA-N
Mol Weight 318.3 g/mol
Molecular Formula C11H14N2O7S
Exact Mass 318.052172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2KHqQq3e7n
Name Methyl 7-methoxycarbonylamino-3-methyl-3-cephem-4-carboxylate 1,1-dioxide
Alternate Name(s) Methyl (6S)-7-[(methoxycarbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
CAS Registry Number 97609-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O7S
InChI InChI=1S/C11H14N2O7S/c1-5-4-21(17,18)9-6(12-11(16)20-3)8(14)13(9)7(5)10(15)19-2/h6,9H,4H2,1-3H3,(H,12,16)/t6?,9-/m0/s1
InChIKey JEWOQTYSAILLDD-HSOSERFQSA-N
Molecular Weight 318.300 g/mol
SMILES N(C1[C@@]2(S(CC(=C(N2C1=O)C(=O)OC)C)(=O)=O)[H])C(=O)OC
SPLASH splash10-0uxr-0910000000-a7d876ce2258365d7964
Source of Spectrum W5-1989-38574-26962
Wiley ID 1317967