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2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(1-oxobutyl)-4-propyl-
SpectraBase Compound ID E75nKiKIpQv
InChI InChI=1S/C18H22O5/c1-5-7-11-9-15(20)23-14-10-13(21-3)17(12(19)8-6-2)18(22-4)16(11)14/h9-10H,5-8H2,1-4H3
InChIKey FEMDUGUZERLBKG-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18kkOWnnYdq
Name 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(1-oxobutyl)-4-propyl-
Alternate Name(s) 6-Butyryl-5,7-dimethoxy-4-propyl-2H-chromen-2-one 6-Butyryl-5,7-dimethoxy-4-propylcoumarin
CAS Registry Number 98498-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-5-7-11-9-15(20)23-14-10-13(21-3)17(12(19)8-6-2)18(22-4)16(11)14/h9-10H,5-8H2,1-4H3
InChIKey FEMDUGUZERLBKG-UHFFFAOYSA-N
Molecular Weight 318.369 g/mol
SMILES c12c(c(C(=O)CCC)c(cc2OC(=O)C=C1CCC)OC)OC
SPLASH splash10-004i-0093000000-9a099ce88a54ef6e8ab4
Source of Spectrum KC-1987-339-14
Wiley ID 1318514