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4H-1,3-Benzodioxin-4-one, 2-(1,1-dimethylethyl)hexahydro-, [2S-(2.alpha.,4a.beta.,8a.beta.)]-
SpectraBase Compound ID 3CVtRfjbg0d
InChI InChI=1S/C12H20O3/c1-12(2,3)11-14-9-7-5-4-6-8(9)10(13)15-11/h8-9,11H,4-7H2,1-3H3
InChIKey XMQQMGNYKVVUNG-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8G4tWdIMfNR
Name 4H-1,3-Benzodioxin-4-one, 2-(1,1-dimethylethyl)hexahydro-, [2S-(2.alpha.,4a.beta.,8a.beta.)]-
CAS Registry Number 113121-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-12(2,3)11-14-9-7-5-4-6-8(9)10(13)15-11/h8-9,11H,4-7H2,1-3H3
InChIKey XMQQMGNYKVVUNG-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C1(=O)C2C(CCCC2)OC(O1)C(C)(C)C
SPLASH splash10-053r-9200000000-de624faa6a8b8bf8653c
Synonyms 2-tert-Butylhexahydro-4H-1,3-benzodioxin-4-one 2-tert-Butyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one
Wiley ID 1486128