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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 K6yXxTASkVt
Name 4H-1,3-BENZODIOXIN-4-ONE, 5-BUTYL-2-(1,1-DIMETHYLETHYL)HEXAHYDRO-, [2S-(2alpha,4Aalpha,5beta,8Abeta)]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 268.2031
SMILES C1C(CCCC)C2C(OC(C(C)(C)C)OC2CC1)=O
SPLASH splash10-015a-9600000000-18c1e843715af8fc60a2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany