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4-(1-acetoxypropyl)-5,7-dihydroxy-8-(2-methylbutyryl)coumarin
SpectraBase Compound ID HwBGaHBvfqO
InChI InChI=1S/C19H22O7/c1-5-9(3)18(24)17-13(22)8-12(21)16-11(7-15(23)26-19(16)17)14(6-2)25-10(4)20/h7-9,14,21-22H,5-6H2,1-4H3
InChIKey UNDVCYHYZJFJLK-UHFFFAOYSA-N
Mol Weight 362.38 g/mol
Molecular Formula C19H22O7
Exact Mass 362.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrsSrD5lSil
Name 4-(1-acetoxypropyl)-5,7-dihydroxy-8-(2-methylbutyryl)coumarin
CAS Registry Number 98498-80-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O7
InChI InChI=1S/C19H22O7/c1-5-9(3)18(24)17-13(22)8-12(21)16-11(7-15(23)26-19(16)17)14(6-2)25-10(4)20/h7-9,14,21-22H,5-6H2,1-4H3
InChIKey UNDVCYHYZJFJLK-UHFFFAOYSA-N
Molecular Weight 362.378 g/mol
SMILES Oc1cc(c2c(c1C(=O)C(CC)C)OC(C=C2C(OC(=O)C)CC)=O)O
SPLASH splash10-0002-0095000000-53cb131be6a036b6251e
Source of Spectrum KC-1987-349-6
Synonyms 1-[5,7-dihydroxy-8-(2-methylbutanoyl)-2-oxo-2H-chromen-4-yl]propyl acetate
Wiley ID 1349509