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4,5-Benzo-exo-7-benzoyl-1-pivaloyl-3-oxa-cis-bicyclo[4.1.0]hept-4-en-2-one
SpectraBase Compound ID EByu6atT3he
InChI InChI=1S/C22H20O4/c1-21(2,3)19(24)22-16(14-11-7-8-12-15(14)26-20(22)25)17(22)18(23)13-9-5-4-6-10-13/h4-12,16-17H,1-3H3/t16-,17?,22-/m1/s1
InChIKey XALWXDNRRNZGKH-WZBYWARDSA-N
Mol Weight 348.4 g/mol
Molecular Formula C22H20O4
Exact Mass 348.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GCM8rZGtKd
Name 4,5-Benzo-exo-7-benzoyl-1-pivaloyl-3-oxa-cis-bicyclo[4.1.0]hept-4-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O4
InChI InChI=1S/C22H20O4/c1-21(2,3)19(24)22-16(14-11-7-8-12-15(14)26-20(22)25)17(22)18(23)13-9-5-4-6-10-13/h4-12,16-17H,1-3H3/t16-,17?,22-/m1/s1
InChIKey XALWXDNRRNZGKH-WZBYWARDSA-N
Molecular Weight 348.398 g/mol
SMILES [C@]12([C@@](c3ccccc3OC2=O)([H])C1C(=O)c1ccccc1)C(C(C)(C)C)=O
SPLASH splash10-0a4i-9240000000-99ca5d6e57839ad88c2a
Source of Spectrum F-49-2284-3
Synonyms 4,5-Benzo-endo-7-benzoyl-3-oxa-1-pivaloyl-cis-bicyclo[4.1.0]hept-4-en-2-one (1aR,7bS)-1-benzoyl-1a-(2,2-dimethylpropanoyl)-1a,7b-dihydrocyclopropa[c]chromen-2(1H)-one
Wiley ID 1340934