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4-((4-chlorophenyl)ethynyl)-2H-benzo[h]chromen-2-one
SpectraBase Compound ID 9UI23VnbdQZ
InChI InChI=1S/C21H11ClO2/c22-17-10-6-14(7-11-17)5-8-16-13-20(23)24-21-18-4-2-1-3-15(18)9-12-19(16)21/h1-4,6-7,9-13H
InChIKey CICSNUVZSSBNEH-UHFFFAOYSA-N
Mol Weight 330.77 g/mol
Molecular Formula C21H11ClO2
Exact Mass 330.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n6nbqxp8J0
Name 4-((4-chlorophenyl)ethynyl)-2H-benzo[h]chromen-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11ClO2
InChI InChI=1S/C21H11ClO2/c22-17-10-6-14(7-11-17)5-8-16-13-20(23)24-21-18-4-2-1-3-15(18)9-12-19(16)21/h1-4,6-7,9-13H
InChIKey CICSNUVZSSBNEH-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 330.770 g/mol
SMILES c1c2c(c3c(c1)C(=CC(O3)=O)C#Cc1ccc(cc1)Cl)cccc2
SPLASH splash10-0fsr-4579000000-a1948ce38a8358256060
Source of Spectrum AJO-10-SM76-2.13
Wiley ID 1866369