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4H-1,3-Benzodioxin-4-one, 5-butyl-2-(1,1-dimethylethyl)hexahydro-, [2s-(2.alpha.,4a.alpha.,5.beta.,8a.beta.)]-
SpectraBase Compound ID 4EZ0Xo1iy3K
InChI InChI=1S/C16H28O3/c1-5-6-8-11-9-7-10-12-13(11)14(17)19-15(18-12)16(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKey MNDLJUVFLICYTN-UHFFFAOYSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXDhudvKU5U
Name 4H-1,3-Benzodioxin-4-one, 5-butyl-2-(1,1-dimethylethyl)hexahydro-, [2s-(2.alpha.,4a.alpha.,5.beta.,8a.beta.)]-
Alternate Name(s) 5-Butyl-2-tert-butylhexahydro-4H-1,3-benzodioxin-4-one 5-Butyl-2-tert-butyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one
CAS Registry Number 113121-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-5-6-8-11-9-7-10-12-13(11)14(17)19-15(18-12)16(2,3)4/h11-13,15H,5-10H2,1-4H3
InChIKey MNDLJUVFLICYTN-UHFFFAOYSA-N
Molecular Weight 268.397 g/mol
SMILES CCCCC1C2C(CCC1)OC(OC2=O)C(C)(C)C
SPLASH splash10-015j-9700000000-ade2da6b8168591d0fc5
Source of Spectrum H-72-708-14
Wiley ID 1272409