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2-(4-Chlorophenyl)-2-oxoethyl 3-o-tolylpropiolate
SpectraBase Compound ID GgnsbsquQpD
InChI InChI=1S/C18H13ClO3/c1-13-4-2-3-5-14(13)8-11-18(21)22-12-17(20)15-6-9-16(19)10-7-15/h2-7,9-10H,12H2,1H3
InChIKey YPDHGWZRHFUGGX-UHFFFAOYSA-N
Mol Weight 312.75 g/mol
Molecular Formula C18H13ClO3
Exact Mass 312.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWtIbiMf22
Name 2-(4-Chlorophenyl)-2-oxoethyl 3-o-tolylpropiolate
Alternate Name(s) 2-(4-Chlorophenyl)-2-oxoethyl 3-(o-tolyl)propiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClO3
InChI InChI=1S/C18H13ClO3/c1-13-4-2-3-5-14(13)8-11-18(21)22-12-17(20)15-6-9-16(19)10-7-15/h2-7,9-10H,12H2,1H3
InChIKey YPDHGWZRHFUGGX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000762
Molecular Weight 312.752 g/mol
SMILES C(C#Cc1c(cccc1)C)(=O)OCC(=O)c1ccc(cc1)Cl
SPLASH splash10-000l-0900000000-701411791a0e7e1426a9
Source of Spectrum ASC-353-31/SM8-1m
Wiley ID 1764651