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2H-1-Benzopyran-2-one, 5-(acetyloxy)-4-[1-(acetyloxy)propyl]-7-methoxy-6-(1-oxobutyl)-
SpectraBase Compound ID 2rjpXUuziUV
InChI InChI=1S/C21H24O8/c1-6-8-14(24)20-16(26-5)10-17-19(21(20)28-12(4)23)13(9-18(25)29-17)15(7-2)27-11(3)22/h9-10,15H,6-8H2,1-5H3
InChIKey REELZPJBTOJDFE-UHFFFAOYSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80iNKzGMZwC
Name 2H-1-Benzopyran-2-one, 5-(acetyloxy)-4-[1-(acetyloxy)propyl]-7-methoxy-6-(1-oxobutyl)-
Alternate Name(s) 1-[5-(acetyloxy)-6-butyryl-7-methoxy-2-oxo-2H-chromen-4-yl]propyl acetate 5-Acetoxy-4-(1-acetoxypropyl)-6-butyryl-7-methoxycoumarin
CAS Registry Number 111249-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-6-8-14(24)20-16(26-5)10-17-19(21(20)28-12(4)23)13(9-18(25)29-17)15(7-2)27-11(3)22/h9-10,15H,6-8H2,1-5H3
InChIKey REELZPJBTOJDFE-UHFFFAOYSA-N
Molecular Weight 404.415 g/mol
SMILES C=1(c2c(c(C(=O)CCC)c(cc2OC(C1)=O)OC)OC(=O)C)C(OC(=O)C)CC
SPLASH splash10-0b90-0069000000-49cd2c6b67d56991a6ee
Source of Spectrum KC-1987-341-16
Wiley ID 1371205