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[(3'-Benzoyl-4'-oxo-4H-chromen-2'-yl)methyl]acetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

[(3'-Benzoyl-4'-oxo-4H-chromen-2'-yl)methyl]acetate
SpectraBase Compound ID 2OzMLSJou0c
InChI InChI=1S/C19H14O5/c1-12(20)23-11-16-17(18(21)13-7-3-2-4-8-13)19(22)14-9-5-6-10-15(14)24-16/h2-10H,11H2,1H3
InChIKey IYOLNKPPQZVXLD-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C19H14O5
Exact Mass 322.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L35Hb5Om0K4
Name [(3'-Benzoyl-4'-oxo-4H-chromen-2'-yl)methyl]acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.084123546 u
Formula C19H14O5
InChI InChI=1S/C19H14O5/c1-12(20)23-11-16-17(18(21)13-7-3-2-4-8-13)19(22)14-9-5-6-10-15(14)24-16/h2-10H,11H2,1H3
InChIKey IYOLNKPPQZVXLD-UHFFFAOYSA-N
Molecular Weight 322.316 g/mol
SMILES C=1(C(C2=CC=CC=C2OC1COC(=O)C)=O)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976541