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1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-ethyl-, (2R-cis)-
SpectraBase Compound ID 51ZherL3Ade
InChI InChI=1S/C10H18O3/c1-5-7-6-8(11)13-9(12-7)10(2,3)4/h7,9H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKey QQSXJWSPYXVOGP-VXNVDRBHSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErQGrNR1BVe
Name 1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-ethyl-, (2R-cis)-
Alternate Name(s) (2R,6R)-2-(tert-butyl)-6-ethyl-1,3-dioxane-4-one (2R,6R)-2-tert-butyl-6-ethyl-1,3-dioxan-4-one
CAS Registry Number 113304-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-5-7-6-8(11)13-9(12-7)10(2,3)4/h7,9H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKey QQSXJWSPYXVOGP-VXNVDRBHSA-N
Molecular Weight 186.251 g/mol
SMILES [C@]1(OC(C[C@](O1)(CC)[H])=O)(C(C)(C)C)[H]
SPLASH splash10-053r-9000000000-e81f66982e5e5bc6101a
Source of Spectrum H-70-1112-20
Wiley ID 1182822