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(2S*,3S*)-3-Butyl-2-ethenylcyclohexanone
SpectraBase Compound ID LWRhEWX7smY
InChI InChI=1S/C12H20O/c1-3-5-7-10-8-6-9-12(13)11(10)4-2/h4,10-11H,2-3,5-9H2,1H3/t10-,11-/m0/s1
InChIKey DSEMIOYITRABGZ-QWRGUYRKSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bky6cqpGf4d
Name (2S*,3S*)-3-Butyl-2-ethenylcyclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-3-5-7-10-8-6-9-12(13)11(10)4-2/h4,10-11H,2-3,5-9H2,1H3/t10-,11-/m0/s1
InChIKey DSEMIOYITRABGZ-QWRGUYRKSA-N
Molecular Weight 180.291 g/mol
SMILES [C@@]1(C(=O)CCC[C@@]1(CCCC)[H])(C=C)[H]
SPLASH splash10-0002-9300000000-abe1a52fd60b54116263
Source of Spectrum SO-0-141-0
Wiley ID 865272