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1,3-Dibutyl-4-(methoxycarbonyl)benzo[c]pyran
SpectraBase Compound ID 52Om9WEljDt
InChI InChI=1S/C19H26O3/c1-4-6-12-16-14-10-8-9-11-15(14)18(19(20)21-3)17(22-16)13-7-5-2/h8-11,16H,4-7,12-13H2,1-3H3
InChIKey QAAXDLDOEQBAOQ-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66nanMHsA6S
Name 1,3-Dibutyl-4-(methoxycarbonyl)benzo[c]pyran
Alternate Name(s) Methyl 1,3-dibutyl-1H-2-benzopyran-4-carboxylate 1,3-Dibutyl-1H-2-benzopyran-4-carboxylic acid methyl ester Methyl 1,3-dibutyl-1H-isochromene-4-carboxylate
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Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-4-6-12-16-14-10-8-9-11-15(14)18(19(20)21-3)17(22-16)13-7-5-2/h8-11,16H,4-7,12-13H2,1-3H3
InChIKey QAAXDLDOEQBAOQ-UHFFFAOYSA-N
Molecular Weight 302.414 g/mol
SMILES C1(c2c(C(=C(O1)CCCC)C(=O)OC)cccc2)CCCC
SPLASH splash10-0002-0090000000-a37c71affbe1350cfa07
Source of Spectrum K1-2004-581-3
Wiley ID 1560336