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Dimethyl 2-[(Z)-2'-Phenylethenyl]-bicyclo[5.5.1]trideca-1,3,5,7,9,11-hexaene-4,5-dicarboxylate
SpectraBase Compound ID 1IuaxjfQ5Qa
InChI InChI=1S/C25H22O4/c1-28-24(26)22-16-19-11-7-4-8-12-20(15-19)21(17-23(22)25(27)29-2)14-13-18-9-5-3-6-10-18/h3-14,16-17H,15H2,1-2H3/b7-4-,8-4-,11-7-,12-8-,14-13-,19-11+,19-16-,20-12+,21-17-,21-20-,22-16+,23-17+,23-22-
InChIKey UHERIORJKITOOH-QZAMDFTCSA-N
Mol Weight 386.45 g/mol
Molecular Formula C25H22O4
Exact Mass 386.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0EtpcK0xLW
Name Dimethyl 2-[(Z)-2'-Phenylethenyl]-bicyclo[5.5.1]trideca-1,3,5,7,9,11-hexaene-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O4
InChI InChI=1S/C25H22O4/c1-28-24(26)22-16-19-11-7-4-8-12-20(15-19)21(17-23(22)25(27)29-2)14-13-18-9-5-3-6-10-18/h3-14,16-17H,15H2,1-2H3/b7-4-,8-4-,11-7-,12-8-,14-13-,19-11+,19-16-,20-12+,21-17-,21-20-,22-16+,23-17+,23-22-
InChIKey UHERIORJKITOOH-QZAMDFTCSA-N
Molecular Weight 386.447 g/mol
SMILES c1(\C=C/C2=C/3\C=C/C=C\C=C\(\C=C/(\C(=C/2)C(=O)OC)C(=O)OC)C3)ccccc1
SPLASH splash10-014r-0393000000-10d64f1a64789bddf9eb
Source of Spectrum H-84-1043-0
Synonyms Dimethyl 6-[(Z)-2-phenylethenyl]bicyclo[5.5.1]trideca-1(12),2,4,6,8,10-hexaene-3,4-dicarboxylate
Wiley ID 847619