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N-(4-Chlorophenyl)-6-methylcoumarin-3-carboxamide
SpectraBase Compound ID jHNd6gNYlQ
InChI InChI=1S/C17H12ClNO3/c1-10-2-7-15-11(8-10)9-14(17(21)22-15)16(20)19-13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,20)
InChIKey KLSTVAQJRQHMEW-UHFFFAOYSA-N
Mol Weight 313.74 g/mol
Molecular Formula C17H12ClNO3
Exact Mass 313.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KF6P04zRiXQ
Name N-(4-Chlorophenyl)-6-methylcoumarin-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClNO3
InChI InChI=1S/C17H12ClNO3/c1-10-2-7-15-11(8-10)9-14(17(21)22-15)16(20)19-13-5-3-12(18)4-6-13/h2-9H,1H3,(H,19,20)
InChIKey KLSTVAQJRQHMEW-UHFFFAOYSA-N
Instrument Name Hewlett- Packard-5972-MSD
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00918
Molecular Weight 313.740 g/mol
SMILES N(C(C=1C(Oc2c(cc(cc2)C)C1)=O)=O)c1ccc(cc1)Cl
SPLASH splash10-029i-1905000000-34f0bd7cfe1c91d94c3f
Source of Spectrum AF-60-SM5-13a
Wiley ID 1870129