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Ethyl 3-(2-Isocyanatophenylethynyl)benzoate

View entire compound with spectra: 1 MS (GC)

Ethyl 3-(2-Isocyanatophenylethynyl)benzoate
SpectraBase Compound ID Ib3XpU0foTz
InChI InChI=1S/C18H13NO3/c1-2-22-18(21)16-8-5-6-14(12-16)10-11-15-7-3-4-9-17(15)19-13-20/h3-9,12H,2H2,1H3
InChIKey KMWGBBRXHCEYJD-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C18H13NO3
Exact Mass 291.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jlp8dJDoZ6s
Name Ethyl 3-(2-Isocyanatophenylethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO3
InChI InChI=1S/C18H13NO3/c1-2-22-18(21)16-8-5-6-14(12-16)10-11-15-7-3-4-9-17(15)19-13-20/h3-9,12H,2H2,1H3
InChIKey KMWGBBRXHCEYJD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9014877
Molecular Weight 291.306 g/mol
SMILES c1cc(C#Cc2cc(ccc2)C(=O)OCC)c(cc1)N=C=O
SPLASH splash10-0006-0290000000-e207991e331846458c9d
Source of Spectrum A1-11-4262/SMS15-1j
Synonyms Ethyl 3-((2-isocyanatophenyl)ethynyl)benzoate
Wiley ID 1757157