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acetamide, 2-[[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]-N-(2-thienylmethyl)-
SpectraBase Compound ID 99NLq9IcMSr
InChI InChI=1S/C24H21NO6S/c1-15-24(31-20-8-4-3-7-19(20)28-2)23(27)18-10-9-16(12-21(18)30-15)29-14-22(26)25-13-17-6-5-11-32-17/h3-12H,13-14H2,1-2H3,(H,25,26)
InChIKey PVWVBOYALGVGFN-UHFFFAOYSA-N
Mol Weight 451.49 g/mol
Molecular Formula C24H21NO6S
Exact Mass 451.108959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iZUH8M7Rx1
Name Acetamide, 2-[[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]-N-(2-thienylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.108958568 u
Formula C24H21NO6S
InChI InChI=1S/C24H21NO6S/c1-15-24(31-20-8-4-3-7-19(20)28-2)23(27)18-10-9-16(12-21(18)30-15)29-14-22(26)25-13-17-6-5-11-32-17/h3-12H,13-14H2,1-2H3,(H,25,26)
InChIKey PVWVBOYALGVGFN-UHFFFAOYSA-N
Molecular Weight 451.493 g/mol
SMILES N(C(COC=1C=C2OC(=C(C(C2=CC1)=O)OC=1C(OC)=CC=CC1)C)=O)CC=1SC=CC1