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1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-6-(2-propenyl)-, (2R-trans)-
SpectraBase Compound ID 7ti0zd4Bvj9
InChI InChI=1S/C12H20O3/c1-6-7-12(5)8-9(13)14-10(15-12)11(2,3)4/h6,10H,1,7-8H2,2-5H3/t10-,12-/m0/s1
InChIKey JKFQEFQQXCXDRP-JQWIXIFHSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GccZ6rnYTQJ
Name 1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-6-(2-propenyl)-, (2R-trans)-
CAS Registry Number 114885-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-6-7-12(5)8-9(13)14-10(15-12)11(2,3)4/h6,10H,1,7-8H2,2-5H3/t10-,12-/m0/s1
InChIKey JKFQEFQQXCXDRP-JQWIXIFHSA-N
Molecular Weight 212.289 g/mol
SMILES [C@]1(OC(C[C@@](O1)(CC=C)C)=O)(C(C)(C)C)[H]
SPLASH splash10-052o-9100000000-32ecec0857d834cb5ef4
Source of Spectrum C-110-4771-5
Synonyms (2R,6S)-6-allyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
Wiley ID 1211495