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Diethyl 7,12-dimethyl-9-(1'-methylethyl)benzo[a]heptalene-2,3-dicarboxylate
SpectraBase Compound ID 4sn1Vw37nKB
InChI InChI=1S/C27H30O4/c1-7-30-26(28)23-14-20-12-9-17(5)21-13-19(16(3)4)11-10-18(6)25(21)22(20)15-24(23)27(29)31-8-2/h9-16H,7-8H2,1-6H3
InChIKey APQSANMYXUIKAG-UHFFFAOYSA-N
Mol Weight 418.53 g/mol
Molecular Formula C27H30O4
Exact Mass 418.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GCEfZq4JAD
Name Diethyl 7,12-dimethyl-9-(1'-methylethyl)benzo[a]heptalene-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O4
InChI InChI=1S/C27H30O4/c1-7-30-26(28)23-14-20-12-9-17(5)21-13-19(16(3)4)11-10-18(6)25(21)22(20)15-24(23)27(29)31-8-2/h9-16H,7-8H2,1-6H3
InChIKey APQSANMYXUIKAG-UHFFFAOYSA-N
Molecular Weight 418.533 g/mol
SMILES C=12C(c3c(cc(c(c3)C(=O)OCC)C(=O)OCC)C=CC1C)=C(C=CC(=C2)C(C)C)C
SPLASH splash10-014i-0005900000-3e3d0dfaa1bbb5c17e32
Source of Spectrum H-85-1137-10
Synonyms Diethyl 9-isopropyl-7,12-dimethylbenzo[a]heptalene-2,3-dicarboxylate
Wiley ID 1524170