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3-(4'-Methylphenyl)-8-(2-oxopropoxy)coumarin
SpectraBase Compound ID 2b4LKDWiXl8
InChI InChI=1S/C19H16O4/c1-12-6-8-14(9-7-12)16-10-15-4-3-5-17(22-11-13(2)20)18(15)23-19(16)21/h3-10H,11H2,1-2H3
InChIKey FTEWBMZFUKFKEC-UHFFFAOYSA-N
Mol Weight 308.33 g/mol
Molecular Formula C19H16O4
Exact Mass 308.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uK3hvqx9Rq
Name 3-(4'-Methylphenyl)-8-(2-oxopropoxy)coumarin
Alternate Name(s) 8-(2-oxopropoxy)-3-(p-tolyl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O4
InChI InChI=1S/C19H16O4/c1-12-6-8-14(9-7-12)16-10-15-4-3-5-17(22-11-13(2)20)18(15)23-19(16)21/h3-10H,11H2,1-2H3
InChIKey FTEWBMZFUKFKEC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201402205
Molecular Weight 308.333 g/mol
SMILES C1(Oc2c(cccc2C=C1c1ccc(cc1)C)OCC(C)=O)=O
SPLASH splash10-066r-0293000000-c5b9da5ea8255bd629fa
Source of Spectrum CMC-9-2252-12
Wiley ID 1771852