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rel-(1R,2aS,8bS)-2a-Benzoyl-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one
SpectraBase Compound ID HXhgZP3dacH
InChI InChI=1S/C24H18O3/c25-22(17-11-5-2-6-12-17)24-15-19(16-9-3-1-4-10-16)21(24)18-13-7-8-14-20(18)27-23(24)26/h1-14,19,21H,15H2/t19-,21+,24-/m0/s1
InChIKey YBUQXRTVVSHLHZ-LEEZEASISA-N
Mol Weight 354.41 g/mol
Molecular Formula C24H18O3
Exact Mass 354.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lVy8leKhCE
Name rel-(1R,2aS,8bS)-2a-Benzoyl-1-phenyl-1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18O3
InChI InChI=1S/C24H18O3/c25-22(17-11-5-2-6-12-17)24-15-19(16-9-3-1-4-10-16)21(24)18-13-7-8-14-20(18)27-23(24)26/h1-14,19,21H,15H2/t19-,21+,24-/m0/s1
InChIKey YBUQXRTVVSHLHZ-LEEZEASISA-N
Molecular Weight 354.405 g/mol
SMILES c12c([C@]3([C@@](C(O2)=O)(C[C@]3(c2ccccc2)[H])C(c2ccccc2)=O)[H])cccc1
SPLASH splash10-0udi-0900000000-d24cd29af35c275900b1
Source of Spectrum O1-65-2418-3
Synonyms (1R,2aS,8bS)-2a-benzoyl-1-phenyl-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one
Wiley ID 1593287