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Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 3-(diphenylethenylidene)-, diethyl ester
SpectraBase Compound ID 78Ew9BeZIei
InChI InChI=1S/C27H26O4/c1-3-30-25(28)27(26(29)31-4-2)22-16-15-21(17-22)24(27)18-23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,21-22H,3-4,17H2,1-2H3/t21-,22+/m0/s1
InChIKey ZAXMQOSACZQAFD-FCHUYYIVSA-N
Mol Weight 414.5 g/mol
Molecular Formula C27H26O4
Exact Mass 414.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtumRgfarOK
Name Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 3-(diphenylethenylidene)-, diethyl ester
Alternate Name(s) Diethyl 3-(2',2'-diphenylethenylidene)bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate Diethyl 3-(2,2-diphenylethenylidene)bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate
CAS Registry Number 115349-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O4
InChI InChI=1S/C27H26O4/c1-3-30-25(28)27(26(29)31-4-2)22-16-15-21(17-22)24(27)18-23(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,21-22H,3-4,17H2,1-2H3/t21-,22+/m0/s1
InChIKey ZAXMQOSACZQAFD-FCHUYYIVSA-N
Molecular Weight 414.501 g/mol
SMILES C1(C(=C=C(c2ccccc2)c2ccccc2)[C@@]2(C[C@]1(C=C2)[H])[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0f6t-0389100000-8bd2b9f5943e4823ca7b
Source of Spectrum B-40-1684-10
Wiley ID 1375645