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Methyl 4-cyano-9-isopropyl-1,6-dimethylheptalene-5-carboxylate
SpectraBase Compound ID JwYGyE0YLih
InChI InChI=1S/C20H21NO2/c1-12(2)15-8-7-14(4)18-17(10-15)13(3)6-9-16(11-21)19(18)20(22)23-5/h6-10,12H,1-5H3
InChIKey LLCSAGVLSSEEBK-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FY5WTzJqz6G
Name Methyl 4-cyano-9-isopropyl-1,6-dimethylheptalene-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c1-12(2)15-8-7-14(4)18-17(10-15)13(3)6-9-16(11-21)19(18)20(22)23-5/h6-10,12H,1-5H3
InChIKey LLCSAGVLSSEEBK-UHFFFAOYSA-N
Molecular Weight 307.393 g/mol
SMILES C1=2C(C(=C(C#N)C=CC2C)C(=O)OC)=C(C=CC(=C1)C(C)C)C
SPLASH splash10-0a4j-0489000000-714c8e158a18b8870e69
Source of Spectrum H-84-2689-11
Synonyms Methyl 2-cyano-7-isopropyl-5,10-dimethyl-1-heptalenecarboxylate
Wiley ID 847840