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4-Endo-(p-nitrobenzoylamino)-2-oxabicyclo[3.3.0]oct-7-ene-3-one

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4-Endo-(p-nitrobenzoylamino)-2-oxabicyclo[3.3.0]oct-7-ene-3-one
SpectraBase Compound ID 7HeERWmWG1F
InChI InChI=1S/C14H12N2O5/c17-13(8-4-6-9(7-5-8)16(19)20)15-12-10-2-1-3-11(10)21-14(12)18/h1,3-7,10-12H,2H2,(H,15,17)/t10-,11+,12-/m1/s1
InChIKey OPOHRXXAPTWGSK-GRYCIOLGSA-N
Mol Weight 288.26 g/mol
Molecular Formula C14H12N2O5
Exact Mass 288.074621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DljsBD7Ocit
Name 4-Endo-(p-nitrobenzoylamino)-2-oxabicyclo[3.3.0]oct-7-ene-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.074621489 u
Formula C14H12N2O5
InChI InChI=1S/C14H12N2O5/c17-13(8-4-6-9(7-5-8)16(19)20)15-12-10-2-1-3-11(10)21-14(12)18/h1,3-7,10-12H,2H2,(H,15,17)/t10-,11+,12-/m1/s1
InChIKey OPOHRXXAPTWGSK-GRYCIOLGSA-N
SMILES C1([C@](NC(C=2C=CC(N(=O)=O)=CC2)=O)([C@@]2(CC=C[C@@]2(O1)[H])[H])[H])=O