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4H-Pyrano[3,2-h][1]benzoxepin-4-one, 8-[(acetyloxy)methyl]-6,9-dihydro-5-hydroxy-2-methyl-
SpectraBase Compound ID hTP0n7fjf4
InChI InChI=1S/C17H16O6/c1-9-5-13(19)16-15(23-9)6-14-12(17(16)20)4-3-11(8-22-14)7-21-10(2)18/h3,5-6,20H,4,7-8H2,1-2H3
InChIKey MJJPDVCYFCKGNZ-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Glw8nuddAlP
Name 4H-Pyrano[3,2-h][1]benzoxepin-4-one, 8-[(acetyloxy)methyl]-6,9-dihydro-5-hydroxy-2-methyl-
Alternate Name(s) (5-hydroxy-2-methyl-4-oxo-6,9-dihydro-4H-oxepino[3,2-g]chromen-8-yl)methyl acetate 8-(acetoxymethyl)-6,9-dihydro-5-hydroxy-2-methyl-4H-pyrano[3,2-h][1]benzoxepin-4-one Cneorum chromone N Pteroxylinol acetate
CAS Registry Number 78076-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-9-5-13(19)16-15(23-9)6-14-12(17(16)20)4-3-11(8-22-14)7-21-10(2)18/h3,5-6,20H,4,7-8H2,1-2H3
InChIKey MJJPDVCYFCKGNZ-UHFFFAOYSA-N
Molecular Weight 316.309 g/mol
SMILES Oc1c2C(C=C(Oc2cc2OCC(=CCc12)COC(=O)C)C)=O
SPLASH splash10-066u-0193000000-55ab0bae801d41372dae
Source of Spectrum K-114-767-0
Wiley ID 1316655