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Diethyl (Z)-3-benzoyl-4-styrylcyclopent-3-ene-1,1-dicarboxylate
SpectraBase Compound ID Fvjir8il8IR
InChI InChI=1S/C26H26O5/c1-3-30-24(28)26(25(29)31-4-2)17-21(16-15-19-11-7-5-8-12-19)22(18-26)23(27)20-13-9-6-10-14-20/h5-16H,3-4,17-18H2,1-2H3/b16-15-
InChIKey JUVCHOBEBRUNAI-NXVVXOECSA-N
Mol Weight 418.49 g/mol
Molecular Formula C26H26O5
Exact Mass 418.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0rFfl9U3c6
Name Diethyl (Z)-3-benzoyl-4-styrylcyclopent-3-ene-1,1-dicarboxylate
Appearance Pale yellow oil
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Exact Mass 418.178023932 u
Formula C26H26O5
InChI InChI=1S/C26H26O5/c1-3-30-24(28)26(25(29)31-4-2)17-21(16-15-19-11-7-5-8-12-19)22(18-26)23(27)20-13-9-6-10-14-20/h5-16H,3-4,17-18H2,1-2H3/b16-15-
InChIKey JUVCHOBEBRUNAI-NXVVXOECSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503293
Molecular Weight 418.489 g/mol
Quality 130
Reported Formula C26H26O5
SMILES C(C)OC(=O)C1(CC(=C(C1)\C=C/C1=CC=CC=C1)C(C1=CC=CC=C1)=O)C(=O)OCC
SPLASH splash10-066r-2924800000-46fc5af424d1c135d5fa
Source of Spectrum QE-21-SM17-6d-Z (DOI: 10.1002/chem.201503293)
Wiley ID 1907285