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4H-1,3-Benzodioxin-4-one, 5-butyl-2-(1,1-dimethylethyl)hexahydro-4a-methyl-, [2s-(2.alpha.,4a.beta.,5.beta.,8a.beta.)]-
SpectraBase Compound ID 5jigjphE2Ew
InChI InChI=1S/C17H30O3/c1-6-7-9-12-10-8-11-13-17(12,5)14(18)20-15(19-13)16(2,3)4/h12-13,15H,6-11H2,1-5H3
InChIKey HEYGSRZGRHCOPC-UHFFFAOYSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jykRsFjlmE
Name 4H-1,3-Benzodioxin-4-one, 5-butyl-2-(1,1-dimethylethyl)hexahydro-4a-methyl-, [2s-(2.alpha.,4a.beta.,5.beta.,8a.beta.)]-
CAS Registry Number 113122-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-6-7-9-12-10-8-11-13-17(12,5)14(18)20-15(19-13)16(2,3)4/h12-13,15H,6-11H2,1-5H3
InChIKey HEYGSRZGRHCOPC-UHFFFAOYSA-N
Molecular Weight 282.424 g/mol
SMILES CCCCC1CCCC2C1(C(=O)OC(O2)C(C)(C)C)C
SPLASH splash10-0f6t-9400000000-127d2315b92c5afb50b1
Source of Spectrum H-72-710-16
Synonyms 5-Butyl-2-tert-butyl-4a-methylhexahydro-4H-1,3-benzodioxin-4-one 5-Butyl-2-tert-butyl-4a-methyl-6,7,8,8a-tetrahydro-5H-benzo[d][1,3]dioxin-4-one
Wiley ID 1286171