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Benzyl 7-(benzyloxycarbonylamino)-3-methyl-2-iso-oxacephem-4-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzyl 7-(benzyloxycarbonylamino)-3-methyl-2-iso-oxacephem-4-carboxylate
SpectraBase Compound ID HzfJHb2lUir
InChI InChI=1S/C23H22N2O6/c1-15-20(22(27)30-12-16-8-4-2-5-9-16)25-18(14-29-15)19(21(25)26)24-23(28)31-13-17-10-6-3-7-11-17/h2-11,18-19H,12-14H2,1H3,(H,24,28)
InChIKey NSRTTXOCNPWLQC-UHFFFAOYSA-N
Mol Weight 422.44 g/mol
Molecular Formula C23H22N2O6
Exact Mass 422.147786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3NrmkTpL4K
Name Benzyl 7-(benzyloxycarbonylamino)-3-methyl-2-iso-oxacephem-4-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.147786430 u
Formula C23H22N2O6
InChI InChI=1S/C23H22N2O6/c1-15-20(22(27)30-12-16-8-4-2-5-9-16)25-18(14-29-15)19(21(25)26)24-23(28)31-13-17-10-6-3-7-11-17/h2-11,18-19H,12-14H2,1H3,(H,24,28)
InChIKey NSRTTXOCNPWLQC-UHFFFAOYSA-N
Molecular Weight 422.437 g/mol
SMILES C1(N2C(C1NC(=O)OCC1=CC=CC=C1)COC(=C2C(OCC=1C=CC=CC1)=O)C)=O