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4-[4-(Benzyloxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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4-[4-(Benzyloxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
SpectraBase Compound ID D744YvVCcS2
InChI InChI=1S/C22H19NO3/c24-21-19-15-6-7-16(12-15)20(19)22(25)23(21)17-8-10-18(11-9-17)26-13-14-4-2-1-3-5-14/h1-11,15-16,19-20H,12-13H2/t15-,16+,19+,20-
InChIKey KRSKQKFYTQFWTJ-OBMJPTGESA-N
Mol Weight 345.4 g/mol
Molecular Formula C22H19NO3
Exact Mass 345.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kHk58jG4Ep
Name 4-[4-(Benzyloxy)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.136493473 u
Formula C22H19NO3
InChI InChI=1S/C22H19NO3/c24-21-19-15-6-7-16(12-15)20(19)22(25)23(21)17-8-10-18(11-9-17)26-13-14-4-2-1-3-5-14/h1-11,15-16,19-20H,12-13H2/t15-,16+,19+,20-
InChIKey KRSKQKFYTQFWTJ-OBMJPTGESA-N
Molecular Weight 345.398 g/mol
SMILES C=1C=CC(COC=2C=CC(N3C([C@@]4([C@]5(C=C[C@@]([C@]4(C3=O)[H])(C5)[H])[H])[H])=O)=CC2)=CC1