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trans-4-tert-Butyl-3-[(E)-2-methyl-1-hexenyl]cyclohexanone
SpectraBase Compound ID 1COQl42tPjA
InChI InChI=1S/C17H30O/c1-6-7-8-13(2)11-14-12-15(18)9-10-16(14)17(3,4)5/h11,14,16H,6-10,12H2,1-5H3/b13-11+/t14-,16-/m0/s1
InChIKey UZNFIIDOUSFTHO-QNICALHASA-N
Mol Weight 250.43 g/mol
Molecular Formula C17H30O
Exact Mass 250.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9piKtWAiDvT
Name trans-4-tert-Butyl-3-[(E)-2-methyl-1-hexenyl]cyclohexanone
Alternate Name(s) (3R,4S)-4-tert-butyl-3-[(1E)-2-methyl-1-hexenyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O
InChI InChI=1S/C17H30O/c1-6-7-8-13(2)11-14-12-15(18)9-10-16(14)17(3,4)5/h11,14,16H,6-10,12H2,1-5H3/b13-11+/t14-,16-/m0/s1
InChIKey UZNFIIDOUSFTHO-QNICALHASA-N
Molecular Weight 250.426 g/mol
SMILES [C@]1(\C=C\(CCCC)C)([C@](CCC(C1)=O)(C(C)(C)C)[H])[H]
SPLASH splash10-0aor-9400000000-dea213ed9451af50760b
Source of Spectrum J-57-3185-24
Wiley ID 1254117