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2-cyano-3-(3-(4-ethoxyphenyl)sydnon-4-yl)acrylic acid ethyl ester
SpectraBase Compound ID JgKv01scWTU
InChI InChI=1S/C16H15N3O5/c1-3-22-13-7-5-12(6-8-13)19-14(16(21)24-18-19)9-11(10-17)15(20)23-4-2/h5-9H,3-4H2,1-2H3
InChIKey STFMCGKTBGYLRD-UHFFFAOYSA-N
Mol Weight 329.31 g/mol
Molecular Formula C16H15N3O5
Exact Mass 329.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1amcNp3YpQ2
Name 2-cyano-3-(3-(4-ethoxyphenyl)sydnon-4-yl)acrylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O5
InChI InChI=1S/C16H15N3O5/c1-3-22-13-7-5-12(6-8-13)19-14(16(21)24-18-19)9-11(10-17)15(20)23-4-2/h5-9H,3-4H2,1-2H3
InChIKey STFMCGKTBGYLRD-UHFFFAOYSA-N
Molecular Weight 329.312 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)OCC)\C=C\(C(=O)OCC)C#N
SPLASH splash10-00di-0091000000-ff00dec18cb333237ab6
Source of Spectrum F-59-4108-5h
Synonyms 2-cyano-1-ethoxy-3-[3-(4-ethoxyphenyl)-5-oxo-4-oxadiazol-3-iumylidene]-1-propen-1-olate 2-cyano-1-ethoxy-3-[3-(4-ethoxyphenyl)-5-oxooxadiazol-3-ium-4-ylidene]prop-1-en-1-olate 2-cyano-1-ethoxy-3-[3-(4-ethoxyphenyl)-5-oxo-oxadiazol-3-ium-4-ylidene]prop-1-en-1-olate 2-cyano-1-ethoxy-3-[3-(4-ethoxyphenyl)-5-oxidanylidene-1,2,3-oxadiazol-3-ium-4-ylidene]prop-1-en-1-olate
Wiley ID 1712230