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1,3-Dioxolane, 2-[4-(1,1-dimethylethyl)-2-ethenylcyclohexyl]-2-methyl-, (1.alpha.,2.beta.,4.alpha.)-
SpectraBase Compound ID JEjH74HX7TM
InChI InChI=1S/C16H28O2/c1-6-12-11-13(15(2,3)4)7-8-14(12)16(5)17-9-10-18-16/h6,12-14H,1,7-11H2,2-5H3/t12-,13+,14-/m0/s1
InChIKey QJMNGDJRWTXDMS-MJBXVCDLSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iv8BkO4UkNC
Name 1,3-Dioxolane, 2-[4-(1,1-dimethylethyl)-2-ethenylcyclohexyl]-2-methyl-, (1.alpha.,2.beta.,4.alpha.)-
CAS Registry Number 54678-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-6-12-11-13(15(2,3)4)7-8-14(12)16(5)17-9-10-18-16/h6,12-14H,1,7-11H2,2-5H3/t12-,13+,14-/m0/s1
InChIKey QJMNGDJRWTXDMS-MJBXVCDLSA-N
Molecular Weight 252.398 g/mol
SMILES C1([C@@]2([C@](C[C@@](CC2)(C(C)(C)C)[H])(C=C)[H])[H])(OCCO1)C
SPLASH splash10-000i-9000000000-6df26b4f5fe161336dd3
Source of Spectrum J-40-1466-0
Synonyms (1.alpha.,2.alpha.,4.beta.)-2-[4-(1,1-dimethylethyl)-2-ethenylcyclohexyl]ethanone (mixture of isomers) 2-[(1S,2R,4R)-4-tert-butyl-2-vinylcyclohexyl]-2-methyl-1,3-dioxolane
Wiley ID 1256116