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3-Butyl-1-methoxy-4-(methoxycarbonyl)benzo[c]pyran
SpectraBase Compound ID BxmQWxLU0p4
InChI InChI=1S/C16H20O4/c1-4-5-10-13-14(15(17)18-2)11-8-6-7-9-12(11)16(19-3)20-13/h6-9,16H,4-5,10H2,1-3H3
InChIKey OXHLOKNMQUZXDY-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiIgel8WJRi
Name 3-Butyl-1-methoxy-4-(methoxycarbonyl)benzo[c]pyran
Alternate Name(s) 3-Butyl-1-methoxy-1H-isochromene-4-carboxylic acid methyl ester Methyl 3-Butyl-1-methoxy-1H-isochromene-4-carboxylate Methyl 3-butyl-1-methoxy-1H-2-benzopyran-4-carboxylate 3-Butyl-1-methoxy-1H-2-benzopyran-4-carboxylic acid methyl ester
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-4-5-10-13-14(15(17)18-2)11-8-6-7-9-12(11)16(19-3)20-13/h6-9,16H,4-5,10H2,1-3H3
InChIKey OXHLOKNMQUZXDY-UHFFFAOYSA-N
Molecular Weight 276.332 g/mol
SMILES C1(=C(OC(c2c1cccc2)OC)CCCC)C(=O)OC
SPLASH splash10-00kb-1690000000-5c0db626b8170227f468
Source of Spectrum U1-2011-5633-4a
Wiley ID 1703182