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(5a.alpha.,5b.beta.,12a.beta.,12b.alpha.)-5a,5b,6,7,12a,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.beta.,12a.beta.,12b.alpha.)-5a,5b,6,7,12a,12b,13,14-Octahydrodibenzo[d,d']cyclobuta[1,2-a:4,3-a']dicycloheptene-5,12-dione
SpectraBase Compound ID BTqhSrAw7ru
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-/m1/s1
InChIKey TXINKFYYIPQPSG-VURPSTOHSA-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 ElPp9MaaquO
Name (5a.alpha.,5b.beta.,12a.beta.,12b.alpha.)-5a,5b,6,7,12a,12b,13,14-Octahydrodibenzo[d,d']cyclobuta[1,2-a:4,3-a']dicycloheptene-5,12-dione
CAS Registry Number 71975-06-9
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-/m1/s1
InChIKey TXINKFYYIPQPSG-VURPSTOHSA-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 splash10-0aor-0906000000-34b6d8a0c021852fd359
Source of Spectrum J-44-4756-0
Synonyms (6aR,6bR,13aR,13bR)-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
Wiley ID 1317348