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Methyl 2-(4-chlorophenylbuta-1,3-diynyl)benzoate
SpectraBase Compound ID GoGFdwkMV4E
InChI InChI=1S/C18H11ClO2/c1-21-18(20)17-9-5-4-8-15(17)7-3-2-6-14-10-12-16(19)13-11-14/h4-5,8-13H,1H3
InChIKey LNIQYAJULGWZJM-UHFFFAOYSA-N
Mol Weight 294.74 g/mol
Molecular Formula C18H11ClO2
Exact Mass 294.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUf2AZuhO0n
Name Methyl 2-(4-chlorophenylbuta-1,3-diynyl)benzoate
Alternate Name(s) Methyl 2-((4-chlorophenyl)buta-1,3-diyn-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11ClO2
InChI InChI=1S/C18H11ClO2/c1-21-18(20)17-9-5-4-8-15(17)7-3-2-6-14-10-12-16(19)13-11-14/h4-5,8-13H,1H3
InChIKey LNIQYAJULGWZJM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201900288
Molecular Weight 294.737 g/mol
SMILES c1cc(c(cc1)C#CC#Cc1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-0ffy-0090000000-828c8d252f70d06c5a5e
Source of Spectrum ASC-361-SM8-1f
Wiley ID 1819020