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3-[(E)-3-(3-furanyl)-1-oxoprop-2-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone
SpectraBase Compound ID L1tFpRciBnD
InChI InChI=1S/C16H18O3/c1-11-13(17)6-8-16(2,3)15(11)14(18)5-4-12-7-9-19-10-12/h4-5,7,9-10H,6,8H2,1-3H3/b5-4+
InChIKey CPDKHXDRJMCSFT-SNAWJCMRSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86gW61rAy5S
Name 3-[(E)-3-(3-furanyl)-1-oxoprop-2-enyl]-2,4,4-trimethyl-1-cyclohex-2-enone
Alternate Name(s) 3-[(E)-3-(3-furyl)acryloyl]-2,4,4-trimethyl-cyclohex-2-en-1-one 3-[(E)-3-(3-furyl)prop-2-enoyl]-2,4,4-trimethyl-cyclohex-2-en-1-one 3-[(E)-3-(furan-3-yl)prop-2-enoyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
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Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-11-13(17)6-8-16(2,3)15(11)14(18)5-4-12-7-9-19-10-12/h4-5,7,9-10H,6,8H2,1-3H3/b5-4+
InChIKey CPDKHXDRJMCSFT-SNAWJCMRSA-N
Molecular Weight 258.317 g/mol
SMILES C1(=C(C(=O)CCC1(C)C)C)C(\C=C\c1cocc1)=O
SPLASH splash10-0600-9840000000-ea322ff1beead8310b7f
Source of Spectrum KC-57-1053-6
Wiley ID 1622732