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2-Acetyl-2-[(E)-3-ethoxyallyl]cyclohexanone
SpectraBase Compound ID JOhALagzPWr
InChI InChI=1S/C13H20O3/c1-3-16-10-6-9-13(11(2)14)8-5-4-7-12(13)15/h6,10H,3-5,7-9H2,1-2H3/b10-6+
InChIKey CVPIHFKRNCWKJI-UXBLZVDNSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CU1RYUWVJtX
Name 2-Acetyl-2-[(E)-3-ethoxyallyl]cyclohexanone
Alternate Name(s) 2-Acetyl-2-[(E)-3-ethoxyprop-2-enyl]-1-cyclohexanone 2-Acetyl-2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one 2-Ethanoyl-2-[(E)-3-ethoxyprop-2-enyl]cyclohexan-1-one
CAS Registry Number 87698-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-3-16-10-6-9-13(11(2)14)8-5-4-7-12(13)15/h6,10H,3-5,7-9H2,1-2H3/b10-6+
InChIKey CVPIHFKRNCWKJI-UXBLZVDNSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C(=O)CCCC1)(C(=O)C)C\C=C\OCC
SPLASH splash10-0a4r-9000000000-409aaf82f936716c3c40
Source of Spectrum J-49-149-0
Wiley ID 1225234