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Bicyclo[4.2.1]non-3-en-2-one, 7,8-dihydroxy-3-methyl-9-(1-methylethylidene)-, (exo,exo)-
SpectraBase Compound ID IOEa9X6EkEY
InChI InChI=1S/C13H18O3/c1-6(2)9-8-5-4-7(3)11(14)10(9)13(16)12(8)15/h4,8,10,12-13,15-16H,5H2,1-3H3/t8-,10-,12+,13-/m0/s1
InChIKey HPXAASPVNHMOPZ-ZDAZMGEQSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7svOsbG7524
Name Bicyclo[4.2.1]non-3-en-2-one, 7,8-dihydroxy-3-methyl-9-(1-methylethylidene)-, (exo,exo)-
CAS Registry Number 94240-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-6(2)9-8-5-4-7(3)11(14)10(9)13(16)12(8)15/h4,8,10,12-13,15-16H,5H2,1-3H3/t8-,10-,12+,13-/m0/s1
InChIKey HPXAASPVNHMOPZ-ZDAZMGEQSA-N
Molecular Weight 222.284 g/mol
SMILES O[C@]1([C@]2(C([C@@]([C@]1(O)[H])(CC=C(C2=O)C)[H])=C(C)C)[H])[H]
SPLASH splash10-0006-9300000000-e3d5360082d88bc83076
Source of Spectrum H-67-1511-0
Synonyms (1R*,6S*,7R*,8S*)-7,8-dihydroxy-9-isopropylidene-3-methylbicyclo[4.2.1]non-3-en-2-one (1R,6S,7R,8S)-7,8-dihydroxy-3-methyl-9-(1-methylethylidene)bicyclo[4.2.1]non-3-en-2-one
Wiley ID 1222549