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(1S,2R)-2-[2-(2-oxopropyl)cyclohex-1-yl]acrolein
SpectraBase Compound ID DcdHUbS0X3g
InChI InChI=1S/C12H18O2/c1-9(8-13)12-6-4-3-5-11(12)7-10(2)14/h8,11-12H,1,3-7H2,2H3/t11-,12-/m1/s1
InChIKey GKFBUYKMVFJCMR-VXGBXAGGSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8M0Xu0gx3D
Name (1S,2R)-2-[2-(2-oxopropyl)cyclohex-1-yl]acrolein
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9(8-13)12-6-4-3-5-11(12)7-10(2)14/h8,11-12H,1,3-7H2,2H3/t11-,12-/m1/s1
InChIKey GKFBUYKMVFJCMR-VXGBXAGGSA-N
Molecular Weight 194.274 g/mol
SMILES C([C@@]1([C@@](CC(=O)C)(CCCC1)[H])[H])(=C)C=O
SPLASH splash10-052r-0900000000-1f11e75ba8ce81cd3c9f
Source of Spectrum F-53-856-23
Synonyms 2-[(1S,2R)-2-(2-oxopropyl)cyclohexyl]acrylaldehyde 2-[trans-2-(2-oxopropyl)cyclohex-1-yl]acrolein
Wiley ID 800219