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3-(3-Phenylprop-2-en-1-yl)-3-carbomethoxy-5-(E)-[(4-phenylcyclohex-1-en-1-yl)methylidene]tetrafuran-2-one
SpectraBase Compound ID 8Qv58x49Z4g
InChI InChI=1S/C28H28O4/c1-31-26(29)28(18-8-11-21-9-4-2-5-10-21)20-25(32-27(28)30)19-22-14-16-24(17-15-22)23-12-6-3-7-13-23/h2-14,19,24H,15-18,20H2,1H3/b11-8+,25-19+
InChIKey DWTRGUILCBBCRI-LBQAVYCDSA-N
Mol Weight 428.53 g/mol
Molecular Formula C28H28O4
Exact Mass 428.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQAw4BdBCLt
Name 3-(3-Phenylprop-2-en-1-yl)-3-carbomethoxy-5-(E)-[(4-phenylcyclohex-1-en-1-yl)methylidene]tetrafuran-2-one
Alternate Name(s) methyl (5E)-2-oxo-5-[(4-phenyl-1-cyclohexen-1-yl)methylene]-3-[(2E)-3-phenyl-2-propenyl]tetrahydro-3-furancarboxylate
CAS Registry Number 137742-42-8
Comments Less than 3 mono-isotopic peaks
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Formula C28H28O4
InChI InChI=1S/C28H28O4/c1-31-26(29)28(18-8-11-21-9-4-2-5-10-21)20-25(32-27(28)30)19-22-14-16-24(17-15-22)23-12-6-3-7-13-23/h2-14,19,24H,15-18,20H2,1H3/b11-8+,25-19+
InChIKey DWTRGUILCBBCRI-LBQAVYCDSA-N
Molecular Weight 428.528 g/mol
SMILES C1(C(O\C(C1)=C/C1=CCC(CC1)c1ccccc1)=O)(C(=O)OC)C\C=C\c1ccccc1
SPLASH splash10-004i-0009000000-dbc8312d3a5dfcb6d7e7
Source of Spectrum J-57-981-7
Wiley ID 1380862