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2H-1-Benzopyran-2-one, 4-[1-(acetyloxy)propyl]-5,7-dihydroxy-
SpectraBase Compound ID 4lzxDYYLRFv
InChI InChI=1S/C14H14O6/c1-3-11(19-7(2)15)9-6-13(18)20-12-5-8(16)4-10(17)14(9)12/h4-6,11,16-17H,3H2,1-2H3
InChIKey PBTOMQHCLCMGEK-UHFFFAOYSA-N
Mol Weight 278.26 g/mol
Molecular Formula C14H14O6
Exact Mass 278.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ByxSU9NF4M
Name 2H-1-Benzopyran-2-one, 4-[1-(acetyloxy)propyl]-5,7-dihydroxy-
CAS Registry Number 111249-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O6
InChI InChI=1S/C14H14O6/c1-3-11(19-7(2)15)9-6-13(18)20-12-5-8(16)4-10(17)14(9)12/h4-6,11,16-17H,3H2,1-2H3
InChIKey PBTOMQHCLCMGEK-UHFFFAOYSA-N
Molecular Weight 278.260 g/mol
SMILES Oc1cc(cc2OC(C=C(c12)C(OC(=O)C)CC)=O)O
SPLASH splash10-0uxr-0190000000-82ff3e8189823dadf434
Source of Spectrum KC-1987-349-6
Synonyms 1-(5,7-dihydroxy-2-oxo-2H-chromen-4-yl)propyl acetate 1-(5,7-dihydroxy-2-oxo-chromen-4-yl)propyl acetate 1-[5,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]propyl ethanoate Acetic acid 1-(5,7-dihydroxy-2-keto-chromen-4-yl)propyl ester Acetic acid 1-(5,7-dihydroxy-2-oxo-1-benzopyran-4-yl)propyl ester
Wiley ID 1281747