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(3.alpha.,6a.alpha.,6b.alpha.,9.beta.,12a.beta.,12b.beta.)-Octahydro-2H,8H-3,6a:9,12a-dimethanocyclobuta[1,2:3,4]dicyclooctene-1,7(6bH,12bH)-dione

View entire compound with spectra: 1 MS (GC)

(3.alpha.,6a.alpha.,6b.alpha.,9.beta.,12a.beta.,12b.beta.)-Octahydro-2H,8H-3,6a:9,12a-dimethanocyclobuta[1,2:3,4]dicyclooctene-1,7(6bH,12bH)-dione
SpectraBase Compound ID 3qEJdFdLnsD
InChI InChI=1S/C18H24O2/c19-13-7-11-3-1-5-17(9-11)15(13)18-6-2-4-12(10-18)8-14(20)16(17)18/h11-12,15-16H,1-10H2/t11-,12+,15-,16-,17+,18+
InChIKey WTXXHOYZQANMAL-MTHPYCMZSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77QABmKO75k
Name (3.alpha.,6a.alpha.,6b.alpha.,9.beta.,12a.beta.,12b.beta.)-Octahydro-2H,8H-3,6a:9,12a-dimethanocyclobuta[1,2:3,4]dicyclooctene-1,7(6bH,12bH)-dione
CAS Registry Number 71370-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c19-13-7-11-3-1-5-17(9-11)15(13)18-6-2-4-12(10-18)8-14(20)16(17)18/h11-12,15-16H,1-10H2/t11-,12+,15-,16-,17+,18+
InChIKey WTXXHOYZQANMAL-MTHPYCMZSA-N
Molecular Weight 272.388 g/mol
SMILES [C@@]123[C@@](C(=O)C[C@@](C3)(CCC1)[H])([H])[C@]13[C@]2(C(C[C@@](CCC3)(C1)[H])=O)[H]
SPLASH splash10-053e-9300000000-9771428f531b3e7b3861
Source of Spectrum J-44-3798-0
Synonyms (1R,2R,5S,9S,10S,13R)-pentacyclo[11.3.1.1(5,9).0(1,10).0(2,9)]octadecane-3,11-dione
Wiley ID 1276558