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4H-1,3-Benzodioxin-4-one, 2-(1,1-dimethylethyl)hexahydro-4a,5-dimethyl-, [2S-(2.alpha.,4a.alpha.,5.beta.,8a.beta.)]-
SpectraBase Compound ID LqVWX9B7J0l
InChI InChI=1S/C14H24O3/c1-9-7-6-8-10-14(9,5)11(15)17-12(16-10)13(2,3)4/h9-10,12H,6-8H2,1-5H3/t9-,10-,12-,14-/m0/s1
InChIKey JREPMGVFRSOWGC-WRZDFSGXSA-N
Mol Weight 240.34 g/mol
Molecular Formula C14H24O3
Exact Mass 240.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67mOnF9I4cj
Name 4H-1,3-Benzodioxin-4-one, 2-(1,1-dimethylethyl)hexahydro-4a,5-dimethyl-, [2S-(2.alpha.,4a.alpha.,5.beta.,8a.beta.)]-
Alternate Name(s) (2S,4aS,5S,8aS)-2-(t-butyl)perhydro-4a,5-dimethyl-2H,4H-[1,3]benzodioxin-4-one (2S,4aS,5S,8aS)-2-tert-butyl-4a,5-dimethylhexahydro-4H-1,3-benzodioxin-4-one
CAS Registry Number 121842-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O3
InChI InChI=1S/C14H24O3/c1-9-7-6-8-10-14(9,5)11(15)17-12(16-10)13(2,3)4/h9-10,12H,6-8H2,1-5H3/t9-,10-,12-,14-/m0/s1
InChIKey JREPMGVFRSOWGC-WRZDFSGXSA-N
Molecular Weight 240.343 g/mol
SMILES C1([C@@]2([C@@](CCC[C@@]2(C)[H])([H])O[C@@](O1)(C(C)(C)C)[H])C)=O
SPLASH splash10-08fr-5900000000-1beee0413ce96f01eacd
Source of Spectrum H-72-709-16
Wiley ID 1243114