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(5a.alpha.,5b.alpha.,12a.alpha.,12b.beta.)-5a,5b,6,11,12a,12b,13,14-Octahydrodibenzo[d,d']cyclobuta[1,2-a:4,3-a']dicycloheptene-5,12-dione

View entire compound with spectra: 1 MS (GC)

(5a.alpha.,5b.alpha.,12a.alpha.,12b.beta.)-5a,5b,6,11,12a,12b,13,14-Octahydrodibenzo[d,d']cyclobuta[1,2-a:4,3-a']dicycloheptene-5,12-dione
SpectraBase Compound ID FZGMXPinq94
InChI InChI=1S/C22H20O2/c23-19-12-15-7-2-1-6-14(15)11-18-20(19)17-10-9-13-5-3-4-8-16(13)22(24)21(17)18/h1-8,17-18,20-21H,9-12H2/t17-,18-,20-,21+/m0/s1
InChIKey TXINKFYYIPQPSG-JYAXBFRTSA-N
Mol Weight 316.4 g/mol
Molecular Formula C22H20O2
Exact Mass 316.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pZY44y5kgK
Name (5a.alpha.,5b.alpha.,12a.alpha.,12b.beta.)-5a,5b,6,11,12a,12b,13,14-Octahydrodibenzo[d,d']cyclobuta[1,2-a:4,3-a']dicycloheptene-5,12-dione
Alternate Name(s) (6aS,6bS,13aR,13bS)-5,6a,6b,7,8,13a,13b,14-octahydrobenzo[a]benzo[4',5']cyclohepta[1',2':3,4]cyclobuta[1,2-d]cycloheptene-6,13-dione
CAS Registry Number 71975-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O2
InChI InChI=1S/C22H20O2/c23-19-12-15-7-2-1-6-14(15)11-18-20(19)17-10-9-13-5-3-4-8-16(13)22(24)21(17)18/h1-8,17-18,20-21H,9-12H2/t17-,18-,20-,21+/m0/s1
InChIKey TXINKFYYIPQPSG-JYAXBFRTSA-N
Molecular Weight 316.400 g/mol
SMILES [C@]12(C(c3c(cccc3)CC[C@]1([C@@]1(C(Cc3c(C[C@]21[H])cccc3)=O)[H])[H])=O)[H]
SPLASH splash10-0a4i-1900000000-71feba463afb22df1953
Source of Spectrum J-44-4756-0
Wiley ID 1317346