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4-((4-chlorophenyl)ethynyl)-7-methoxy-2H-chromen-2-one
SpectraBase Compound ID Ht0rbDpf7vX
InChI InChI=1S/C18H11ClO3/c1-21-15-8-9-16-13(10-18(20)22-17(16)11-15)5-2-12-3-6-14(19)7-4-12/h3-4,6-11H,1H3
InChIKey HDFTUZJJURLGTI-UHFFFAOYSA-N
Mol Weight 310.74 g/mol
Molecular Formula C18H11ClO3
Exact Mass 310.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wgrbrddfjb
Name 4-((4-chlorophenyl)ethynyl)-7-methoxy-2H-chromen-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11ClO3
InChI InChI=1S/C18H11ClO3/c1-21-15-8-9-16-13(10-18(20)22-17(16)11-15)5-2-12-3-6-14(19)7-4-12/h3-4,6-11H,1H3
InChIKey HDFTUZJJURLGTI-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 310.736 g/mol
SMILES COc1ccc2c(c1)OC(C=C2C#Cc1ccc(cc1)Cl)=O
SPLASH splash10-03e9-3697000000-80f6d34aecf9effdc590
Source of Spectrum AJO-10-SM73-2.7
Wiley ID 1866380