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1,3-DIOXAN-4-ONE, 2-(1,1-DIMETHYLETHYL)-5-(1-HYDROXYETHYL)-6-METHYL-, [2R-[2alpha,5alpha(S*),6alpha]]-
SpectraBase Compound ID BpxTAVKMmaq
InChI InChI=1S/C7H12O4.C4H10/c1-4(8)6-5(2)10-3-11-7(6)9;1-4(2)3/h4-6,8H,3H2,1-2H3;4H,1-3H3
InChIKey DQAVOUXRFIFCPZ-UHFFFAOYSA-N
Mol Weight 218.29 g/mol
Molecular Formula C11H22O4
Exact Mass 218.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5a9Hw5tCNyQ
Name 1,3-DIOXAN-4-ONE, 2-(1,1-DIMETHYLETHYL)-5-(1-HYDROXYETHYL)-6-METHYL-, [2R-[2alpha,5alpha(S*),6alpha]]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H20O4
InChI InChI=1S/C7H12O4.C4H10/c1-4(8)6-5(2)10-3-11-7(6)9;1-4(2)3/h4-6,8H,3H2,1-2H3;4H,1-3H3
InChIKey DQAVOUXRFIFCPZ-UHFFFAOYSA-N
Molecular Weight 218.1512
SMILES C(C)(C)C.OC(C)C1C(C)OCOC1=O
SPLASH splash10-05tu-9100000000-1f6c91960c30d1c733f0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany