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2H-1-Benzopyran-2-one, 5,7-bis(acetyloxy)-4-[1-(acetyloxy)propyl]-
SpectraBase Compound ID Cf8tlP0zc2W
InChI InChI=1S/C18H18O8/c1-5-14(24-10(3)20)13-8-17(22)26-16-7-12(23-9(2)19)6-15(18(13)16)25-11(4)21/h6-8,14H,5H2,1-4H3
InChIKey RNKCHLHWUNBNLA-UHFFFAOYSA-N
Mol Weight 362.33 g/mol
Molecular Formula C18H18O8
Exact Mass 362.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67J0TJsZsx4
Name 2H-1-Benzopyran-2-one, 5,7-bis(acetyloxy)-4-[1-(acetyloxy)propyl]-
CAS Registry Number 111249-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O8
InChI InChI=1S/C18H18O8/c1-5-14(24-10(3)20)13-8-17(22)26-16-7-12(23-9(2)19)6-15(18(13)16)25-11(4)21/h6-8,14H,5H2,1-4H3
InChIKey RNKCHLHWUNBNLA-UHFFFAOYSA-N
Molecular Weight 362.334 g/mol
SMILES C=1(c2c(cc(cc2OC(=O)C)OC(=O)C)OC(C1)=O)C(OC(=O)C)CC
SPLASH splash10-014i-0191000000-bbfa4b37cd2050b54295
Source of Spectrum KC-1987-342-16
Synonyms Acetic acid [5-acetyloxy-4-(1-acetyloxypropyl)-2-oxo-1-benzopyran-7-yl] ester [5-acetyloxy-4-(1-acetyloxypropyl)-2-oxochromen-7-yl] acetate [5-acetoxy-4-(1-acetoxypropyl)-2-oxo-chromen-7-yl] acetate [5-acetyloxy-4-(1-acetyloxypropyl)-2-oxidanylidene-chromen-7-yl] ethanoate
Wiley ID 1349433