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(E)-3-[2-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]cyclohepten-1-yl]acrylic acid tert-butyl ester
SpectraBase Compound ID FcLbuO8fe8i
InChI InChI=1S/C21H32O4/c1-20(2,3)24-18(22)14-12-16-10-8-7-9-11-17(16)13-15-19(23)25-21(4,5)6/h12-15H,7-11H2,1-6H3/b14-12+,15-13+
InChIKey BEADAQIWIRMXBA-QUMQEAAQSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4bfLYV3J5T
Name (E)-3-[2-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]cyclohepten-1-yl]acrylic acid tert-butyl ester
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Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-20(2,3)24-18(22)14-12-16-10-8-7-9-11-17(16)13-15-19(23)25-21(4,5)6/h12-15H,7-11H2,1-6H3/b14-12+,15-13+
InChIKey BEADAQIWIRMXBA-QUMQEAAQSA-N
Molecular Weight 348.483 g/mol
SMILES C1(=C(\C=C\C(OC(C)(C)C)=O)CCCCC1)\C=C\C(OC(C)(C)C)=O
SPLASH splash10-05mo-4690000000-227aea5aec4b61d3fd1f
Source of Spectrum SO-0-1335-6
Synonyms (E)-3-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1-cycloheptenyl]-2-propenoic acid tert-butyl ester tert-Butyl (E)-3-[2-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]cyclohepten-1-yl]prop-2-enoate tert-Butyl (E)-3-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]cyclohepten-1-yl]prop-2-enoate tert-Butyl (E)-3-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]cyclohepten-1-yl]prop-2-enoate
Wiley ID 878028