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7-(1,3-Dioxo-1,3-diphenylprop-3-yl)bicyclo[2.2.1]heptan-2-nitrate
SpectraBase Compound ID CkR8wfVlrqK
InChI InChI=1S/C22H21NO5/c24-21(14-7-3-1-4-8-14)20(22(25)15-9-5-2-6-10-15)19-16-11-12-17(19)18(13-16)28-23(26)27/h1-10,16-20H,11-13H2/t16-,17+,18-,19+/m0/s1
InChIKey WTBXVNINCGZMQV-ZSYWTGECSA-N
Mol Weight 379.41 g/mol
Molecular Formula C22H21NO5
Exact Mass 379.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cw7PZA1oZw8
Name 7-(1,3-Dioxo-1,3-diphenylprop-3-yl)bicyclo[2.2.1]heptan-2-nitrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c24-21(14-7-3-1-4-8-14)20(22(25)15-9-5-2-6-10-15)19-16-11-12-17(19)18(13-16)28-23(26)27/h1-10,16-20H,11-13H2/t16-,17+,18-,19+/m0/s1
InChIKey WTBXVNINCGZMQV-ZSYWTGECSA-N
Molecular Weight 379.412 g/mol
SMILES C([C@@]1([C@@]2(C[C@@]([C@]1(CC2)[H])(ON(=O)=O)[H])[H])[H])(C(=O)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-01q9-0169000000-b622731ed0bfe24955eb
Source of Spectrum KC-0-2942-12
Synonyms (2S)-7-(1-benzoyl-2-oxo-2-phenylethyl)bicyclo[2.2.1]hept-2-yl nitrate (S)-7-(1,3-Dioxo-1,3-diphenylprop-3-yl)bicyclo[2.2.1]heptan-2-nitrate
Wiley ID 831571