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Dimethyl 9-formyl-6-[4'-phenylbuta-1',3'-dienyl]heptalene-4,5-dicarboxylate
SpectraBase Compound ID 9iKyNX8l5MT
InChI InChI=1S/C27H22O5/c1-31-26(29)23-14-8-13-22-17-20(18-28)15-16-21(24(22)25(23)27(30)32-2)12-7-6-11-19-9-4-3-5-10-19/h3-18H,1-2H3/b11-6+,12-7+
InChIKey QXXLRBFOFRBODA-GNXRPPCSSA-N
Mol Weight 426.47 g/mol
Molecular Formula C27H22O5
Exact Mass 426.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 385FjK8ksVY
Name Dimethyl 9-formyl-6-[4'-phenylbuta-1',3'-dienyl]heptalene-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22O5
InChI InChI=1S/C27H22O5/c1-31-26(29)23-14-8-13-22-17-20(18-28)15-16-21(24(22)25(23)27(30)32-2)12-7-6-11-19-9-4-3-5-10-19/h3-18H,1-2H3/b11-6+,12-7+
InChIKey QXXLRBFOFRBODA-GNXRPPCSSA-N
Molecular Weight 426.468 g/mol
SMILES C=1(C=2C(C=C(C=O)C=CC2\C=C\C=C\c2ccccc2)=CC=CC1C(=O)OC)C(=O)OC
SPLASH splash10-004i-0008900000-5263c87f4bfa3221b324
Source of Spectrum H-82-2272-23
Synonyms Dimethyl 7-formyl-10-[(1E,3E)-4-phenyl-1,3-butadienyl]-1,2-heptalenedicarboxylate
Wiley ID 815648