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2-Ethyl-5-[(E)-1-propenyl]-1,3-cyclohexanedione
SpectraBase Compound ID 6JIv8wrrQdg
InChI InChI=1S/C11H16O2/c1-3-5-8-6-10(12)9(4-2)11(13)7-8/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKey XBRPRUBSWOYEBI-HWKANZROSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Gf9aCB88ag
Name 2-Ethyl-5-[(E)-1-propenyl]-1,3-cyclohexanedione
Alternate Name(s) 2-Ethyl-5-[(E)-prop-1-enyl]cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-3-5-8-6-10(12)9(4-2)11(13)7-8/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKey XBRPRUBSWOYEBI-HWKANZROSA-N
Molecular Weight 180.247 g/mol
SMILES C1(C(C(CC(C1)\C=C\C)=O)CC)=O
SPLASH splash10-000t-9400000000-5875e67d8604c8d5ca0c
Source of Spectrum U1-2012-5826-1h
Wiley ID 1715682