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acetic acid, [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, phenyl ester

View entire compound with spectra: 2 NMR

acetic acid, [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, phenyl ester
SpectraBase Compound ID HXvpHplpNgr
InChI InChI=1S/C18H14O5/c1-12-9-17(19)23-16-10-14(7-8-15(12)16)21-11-18(20)22-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey ZIXGSGVSFUYVQC-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C18H14O5
Exact Mass 310.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4N6g6cECIHg
Name Acetic acid, [(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.084123546 u
Formula C18H14O5
InChI InChI=1S/C18H14O5/c1-12-9-17(19)23-16-10-14(7-8-15(12)16)21-11-18(20)22-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey ZIXGSGVSFUYVQC-UHFFFAOYSA-N
Molecular Weight 310.305 g/mol
SMILES C1=2OC(=O)C=C(C2C=CC(=C1)OCC(OC=1C=CC=CC1)=O)C