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BUSRGUIGAAKCLL-RCJRCVGLSA-N

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BUSRGUIGAAKCLL-RCJRCVGLSA-N
SpectraBase Compound ID AhL0BhTwuUw
InChI InChI=1S/C14H20O3/c1-8-3-5-12-9(2)13(16)17-14(12)7-10(15)4-6-11(8)14/h8-9,11-12H,3-7H2,1-2H3/t8-,9-,11+,12-,14-/m1/s1
InChIKey BUSRGUIGAAKCLL-RCJRCVGLSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19jcr4Je15g
Name (3R,3aR,6R,6aS,10aR)-3,6-dimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h]benzofuran-2,9-dione
Alternate Name(s) (3R,3aR,6R,6aS,10aR)-3,6-dimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h]benzofuran-2,9-quinone (3R,3aR,6R,6aS,10aR)-3,6-dimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-8-3-5-12-9(2)13(16)17-14(12)7-10(15)4-6-11(8)14/h8-9,11-12H,3-7H2,1-2H3/t8-,9-,11+,12-,14-/m1/s1
InChIKey BUSRGUIGAAKCLL-RCJRCVGLSA-N
Molecular Weight 236.311 g/mol
SMILES [C@]123OC(=O)[C@@]([C@]3(CC[C@]([C@@]1(CCC(C2)=O)[H])(C)[H])[H])(C)[H]
SPLASH splash10-07wc-0920000000-d4078c2d9a3d592d8f98
Source of Spectrum KC-0-3440-8
Wiley ID 823925