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acetic acid, [(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, ethyl ester

View entire compound with spectra: 2 NMR

acetic acid, [(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, ethyl ester
SpectraBase Compound ID FL7tRNuzsIF
InChI InChI=1S/C18H22O5/c1-4-6-7-13-10-16(19)23-18-12(3)15(9-8-14(13)18)22-11-17(20)21-5-2/h8-10H,4-7,11H2,1-3H3
InChIKey YSRNUDNACGZNEF-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjCtD1p1jqm
Name Acetic acid, [(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.146723803 u
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-4-6-7-13-10-16(19)23-18-12(3)15(9-8-14(13)18)22-11-17(20)21-5-2/h8-10H,4-7,11H2,1-3H3
InChIKey YSRNUDNACGZNEF-UHFFFAOYSA-N
Molecular Weight 318.369 g/mol
SMILES C=12C(C(CCCC)=CC(O2)=O)=CC=C(C1C)OCC(=O)OCC