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1-Hexen-3-one, 1-(2,2,3,6-tetramethylcyclohexyl)-, [1.alpha.(E),3.beta.,6.beta.]-
SpectraBase Compound ID 8sRyjyC6h9B
InChI InChI=1S/C16H28O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h10-13,15H,6-9H2,1-5H3/b11-10+/t12-,13+,15+/m1/s1
InChIKey DNMWURVBURMZIA-CUTKSKPUSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPDcF9oflTl
Name 1-Hexen-3-one, 1-(2,2,3,6-tetramethylcyclohexyl)-, [1.alpha.(E),3.beta.,6.beta.]-
CAS Registry Number 106211-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O
InChI InChI=1S/C16H28O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h10-13,15H,6-9H2,1-5H3/b11-10+/t12-,13+,15+/m1/s1
InChIKey DNMWURVBURMZIA-CUTKSKPUSA-N
Molecular Weight 236.399 g/mol
SMILES C1([C@@](\C=C\C(=O)CCC)([C@](C)(CC[C@@]1(C)[H])[H])[H])(C)C
SPLASH splash10-0awd-9500000000-9ebbc19416c67b480acf
Source of Spectrum H-68-1977-35
Synonyms (1E)-1-(2,2,t-3,t-6-tetramethyl-r-1-cyclohexyl)-1-hexen-3-one (1E)-1-[(1R,3S,6R)-2,2,3,6-tetramethylcyclohexyl]-1-hexen-3-one
Wiley ID 1239027