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trans-(E)-3-(5-Ethyl-4-octen-4-yl)-4-isopropylcyclohexanone
SpectraBase Compound ID 4SzxwukNf1W
InChI InChI=1S/C19H34O/c1-6-9-15(8-3)18(10-7-2)19-13-16(20)11-12-17(19)14(4)5/h14,17,19H,6-13H2,1-5H3/b18-15+/t17-,19+/m1/s1
InChIKey PGDABMBNNZIARW-BWVCODFOSA-N
Mol Weight 278.5 g/mol
Molecular Formula C19H34O
Exact Mass 278.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsRIFR2MASN
Name trans-(E)-3-(5-Ethyl-4-octen-4-yl)-4-isopropylcyclohexanone
Alternate Name(s) (3S,4R)-3-[(1E)-2-ethyl-1-propyl-1-pentenyl]-4-isopropylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H34O
InChI InChI=1S/C19H34O/c1-6-9-15(8-3)18(10-7-2)19-13-16(20)11-12-17(19)14(4)5/h14,17,19H,6-13H2,1-5H3/b18-15+/t17-,19+/m1/s1
InChIKey PGDABMBNNZIARW-BWVCODFOSA-N
Molecular Weight 278.480 g/mol
SMILES [C@]1(\C(=C/(CC)CCC)CCC)([C@](CCC(C1)=O)(C(C)C)[H])[H]
SPLASH splash10-004s-1390000000-5e3da263d7135deadf68
Source of Spectrum F-51-4413-2
Wiley ID 791578