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4,5-Benzo-endo-7-benzoyl-1-cyclopropylcarbonyl-3-oxa-cis-bicyclo[4.1.0]hept-4-en-2-one
SpectraBase Compound ID 1LB42GhyhkA
InChI InChI=1S/C21H16O4/c22-18(12-6-2-1-3-7-12)17-16-14-8-4-5-9-15(14)25-20(24)21(16,17)19(23)13-10-11-13/h1-9,13,16-17H,10-11H2/t16?,17-,21+/m1/s1
InChIKey SGGKSGQLCBBLCZ-IMPPOJTNSA-N
Mol Weight 332.36 g/mol
Molecular Formula C21H16O4
Exact Mass 332.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsevbDFF5xW
Name 4,5-Benzo-endo-7-benzoyl-1-cyclopropylcarbonyl-3-oxa-cis-bicyclo[4.1.0]hept-4-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O4
InChI InChI=1S/C21H16O4/c22-18(12-6-2-1-3-7-12)17-16-14-8-4-5-9-15(14)25-20(24)21(16,17)19(23)13-10-11-13/h1-9,13,16-17H,10-11H2/t16?,17-,21+/m1/s1
InChIKey SGGKSGQLCBBLCZ-IMPPOJTNSA-N
Molecular Weight 332.355 g/mol
SMILES [C@@]12(C(c3ccccc3OC2=O)[C@@]1(C(=O)c1ccccc1)[H])C(C1CC1)=O
SPLASH splash10-066r-9200000000-f9226972d654c98ed253
Source of Spectrum F-49-2284-3
Synonyms 4,5-Benzo-exo-7-benzoyl-1-cyclopropylcarbonyl-3-oxa-cis-bicyclo[4.1.0]hept-4-en-2-one (1S,1aS)-1-benzoyl-1a-(cyclopropylcarbonyl)-1a,7b-dihydrocyclopropa[c]chromen-2(1H)-one
Wiley ID 1329673