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lemnal-1(10)-ene-2,12-dione
SpectraBase Compound ID IvqeSUUD6GK
InChI InChI=1S/C15H20O3/c1-8-6-11(16)7-10-4-5-12-13(15(8,10)3)9(2)14(17)18-12/h7-9,12-13H,4-6H2,1-3H3/t8-,9-,12-,13-,15+/m0/s1
InChIKey FDXWIBXGNSYWLQ-GLBWXDBNSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzAWxnlbtdl
Name (1S,3aS,9S,9aS,9bR)-1,9,9a-trimethyl-3a,4,5,8,9,9b-hexahydro-1H-benzo[e]benzofuran-2,7-dione
Alternate Name(s) (1S,3aS,9S,9aS,9bR)-1,9,9a-trimethyl-3a,4,5,8,9,9b-hexahydro-1H-benzo[e]benzofuran-2,7-quinone (1S,3aS,9S,9aS,9bR)-1,9,9a-trimethyl-3a,4,5,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-2,7-dione
CAS Registry Number 63043-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8-6-11(16)7-10-4-5-12-13(15(8,10)3)9(2)14(17)18-12/h7-9,12-13H,4-6H2,1-3H3/t8-,9-,12-,13-,15+/m0/s1
InChIKey FDXWIBXGNSYWLQ-GLBWXDBNSA-N
Molecular Weight 248.322 g/mol
SMILES [C@@]12([C@@]3([C@](OC([C@]3(C)[H])=O)([H])CCC1=CC(C[C@@]2(C)[H])=O)[H])C
SPLASH splash10-000j-0940000000-481d70eb4ef0f007b320
Source of Spectrum AN-86-51-0
Wiley ID 1251296