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4a,9a-Epoxy-1,4-methanoanthracene-5,8-dione, 1,2,3,4,8a,9,10,10a-octahydro-, (1.alpha.,4.alpha.,4a.alpha.,8a.beta.,9a.alpha.,10a.beta.)-

View entire compound with spectra: 1 MS (GC)

4a,9a-Epoxy-1,4-methanoanthracene-5,8-dione, 1,2,3,4,8a,9,10,10a-octahydro-, (1.alpha.,4.alpha.,4a.alpha.,8a.beta.,9a.alpha.,10a.beta.)-
SpectraBase Compound ID 2YKLzrK08Kc
InChI InChI=1S/C15H16O3/c16-12-3-4-13(17)11-7-15-9-2-1-8(5-9)14(15,18-15)6-10(11)12/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+,11-,14+,15-
InChIKey CJKATCYWHAEXDI-MCLULXAYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C15H16O3
Exact Mass 244.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID y9pz4qI94K
Name 4a,9a-Epoxy-1,4-methanoanthracene-5,8-dione, 1,2,3,4,8a,9,10,10a-octahydro-, (1.alpha.,4.alpha.,4a.alpha.,8a.beta.,9a.alpha.,10a.beta.)-
CAS Registry Number 104824-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O3
InChI InChI=1S/C15H16O3/c16-12-3-4-13(17)11-7-15-9-2-1-8(5-9)14(15,18-15)6-10(11)12/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+,11-,14+,15-
InChIKey CJKATCYWHAEXDI-MCLULXAYSA-N
Molecular Weight 244.290 g/mol
SMILES [C@]123[C@@](C[C@@]4([C@](C3)(C(C=CC4=O)=O)[H])[H])([C@]3([H])C[C@]2(CC3)[H])O1
SPLASH splash10-002f-2090000000-c831cf289aa74a525eb5
Source of Spectrum H-68-1727-35
Synonyms (1R,3R,8S,10S,11R,14S)-15-oxapentacyclo[8.4.1.1(11,14).0(1,10).0(3,8)]hexadec-5-ene-4,7-dione (4aR,5S,8R,8aS,9aS,10aR)-8a,10a-epoxy-4a,5,5,5,5,5a,9,9a,10,10a-decahydro-5,8-methano-1,4-anthraquinone(4)
Wiley ID 1247309