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Methyl 4-formyl-9-isopropyl-1-methyl-6-[2'-phenylethenyl]heptalene-5-carboxylate
SpectraBase Compound ID BAyqUkmQUsn
InChI InChI=1S/C27H26O3/c1-18(2)22-15-14-21(13-11-20-8-6-5-7-9-20)25-24(16-22)19(3)10-12-23(17-28)26(25)27(29)30-4/h5-18H,1-4H3/b13-11+
InChIKey JZOFDYZXUPMHIH-ACCUITESSA-N
Mol Weight 398.5 g/mol
Molecular Formula C27H26O3
Exact Mass 398.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bkDDgDwHEd
Name Methyl 4-formyl-9-isopropyl-1-methyl-6-[2'-phenylethenyl]heptalene-5-carboxylate
Alternate Name(s) Methyl 2-formyl-7-isopropyl-5-methyl-10-[(E)-2-phenylethenyl]-1-heptalenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O3
InChI InChI=1S/C27H26O3/c1-18(2)22-15-14-21(13-11-20-8-6-5-7-9-20)25-24(16-22)19(3)10-12-23(17-28)26(25)27(29)30-4/h5-18H,1-4H3/b13-11+
InChIKey JZOFDYZXUPMHIH-ACCUITESSA-N
Molecular Weight 398.502 g/mol
SMILES C1=2C(C=C(C(C)C)C=CC2\C=C\c2ccccc2)=C(C=CC(=C1C(=O)OC)C=O)C
SPLASH splash10-000b-0009000000-d8170408a4a3cac984f7
Source of Spectrum H-82-2271-20
Wiley ID 815649