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Benzenepropanoic acid, 4-cyano-.alpha.-[1-(methoxycarbonyl)-2,3-diphenyl-2-cyclopropen-1-yl]-, methyl ester
SpectraBase Compound ID JOUNHKWe0vf
InChI InChI=1S/C28H23NO4/c1-32-26(30)23(17-19-13-15-20(18-29)16-14-19)28(27(31)33-2)24(21-9-5-3-6-10-21)25(28)22-11-7-4-8-12-22/h3-16,23H,17H2,1-2H3
InChIKey RTPNLNOLKWJWMN-UHFFFAOYSA-N
Mol Weight 437.5 g/mol
Molecular Formula C28H23NO4
Exact Mass 437.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23qQvpTnRA
Name Benzenepropanoic acid, 4-cyano-.alpha.-[1-(methoxycarbonyl)-2,3-diphenyl-2-cyclopropen-1-yl]-, methyl ester
Alternate Name(s) 1-[3-(4-cyanophenyl)-1-methoxy-1-oxopropan-2-yl]-2,3-diphenyl-1-cycloprop-2-enecarboxylic acid methyl ester Methyl 1-[3-(4-cyanophenyl)-1-methoxy-1-oxopropan-2-yl]-2,3-diphenylcycloprop-2-ene-1-carboxylate Methyl 1-[1-[(4-cyanophenyl)methyl]-2-methoxy-2-oxo-ethyl]-2,3-diphenyl-cycloprop-2-ene-1-carboxylate Methyl 1-[3-(4-cyanophenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]-2,3-diphenyl-cycloprop-2-ene-1-carboxylate Methyl 1-(3-(4-cyanophenyl)-1-methoxy-1-oxopropan-2-yl)-2,3-diphenylcycloprop-2-enecarboxylate
CAS Registry Number 67472-81-5
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Formula C28H23NO4
InChI InChI=1S/C28H23NO4/c1-32-26(30)23(17-19-13-15-20(18-29)16-14-19)28(27(31)33-2)24(21-9-5-3-6-10-21)25(28)22-11-7-4-8-12-22/h3-16,23H,17H2,1-2H3
InChIKey RTPNLNOLKWJWMN-UHFFFAOYSA-N
Molecular Weight 437.495 g/mol
SMILES C(Cc1ccc(C#N)cc1)(C1(C(=C1c1ccccc1)c1ccccc1)C(OC)=O)C(=O)OC
SPLASH splash10-0adu-9434000000-423e029a3a9cf49f71df
Source of Spectrum JX-2015-4-452
Wiley ID 1725889