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2-Benzyloxycarbonyl-3-methyl-5-hydroxy-7-(p-methoxyphenyl)-2,7-diazabicyclo[4.2.0]octa-8-one
SpectraBase Compound ID 4wsBiF3PFlG
InChI InChI=1S/C22H24N2O5/c1-14-12-18(25)19-20(21(26)24(19)16-8-10-17(28-2)11-9-16)23(14)22(27)29-13-15-6-4-3-5-7-15/h3-11,14,18-20,25H,12-13H2,1-2H3
InChIKey BBHPLAIHRVIDBU-UHFFFAOYSA-N
Mol Weight 396.44 g/mol
Molecular Formula C22H24N2O5
Exact Mass 396.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7AqkXHt78cb
Name 2-Benzyloxycarbonyl-3-methyl-5-hydroxy-7-(p-methoxyphenyl)-2,7-diazabicyclo[4.2.0]octa-8-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.168521876 u
Formula C22H24N2O5
InChI InChI=1S/C22H24N2O5/c1-14-12-18(25)19-20(21(26)24(19)16-8-10-17(28-2)11-9-16)23(14)22(27)29-13-15-6-4-3-5-7-15/h3-11,14,18-20,25H,12-13H2,1-2H3
InChIKey BBHPLAIHRVIDBU-UHFFFAOYSA-N
Molecular Weight 396.443 g/mol
SMILES C12C(=O)N(C2C(O)CC(N1C(OCC1=CC=CC=C1)=O)C)C=1C=CC(=CC1)OC