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(E)-ethyl 7-cyano-2-(3,5-dimethyl-1H-pyrrol-2-yl)hept-2-enoate
SpectraBase Compound ID 4CYWPlHJsjp
InChI InChI=1S/C16H22N2O2/c1-4-20-16(19)14(9-7-5-6-8-10-17)15-12(2)11-13(3)18-15/h9,11,18H,4-8H2,1-3H3/b14-9+
InChIKey BTEUHSAJJJEAJF-NTEUORMPSA-N
Mol Weight 274.36 g/mol
Molecular Formula C16H22N2O2
Exact Mass 274.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90ASfJspwBF
Name (E)-ethyl 7-cyano-2-(3,5-dimethyl-1H-pyrrol-2-yl)hept-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O2
InChI InChI=1S/C16H22N2O2/c1-4-20-16(19)14(9-7-5-6-8-10-17)15-12(2)11-13(3)18-15/h9,11,18H,4-8H2,1-3H3/b14-9+
InChIKey BTEUHSAJJJEAJF-NTEUORMPSA-N
Literature Reference DOI 10.1039/C6RA05348C
Molecular Weight 274.364 g/mol
SMILES [nH]1c(c(cc1C)C)\C(=C/CCCCC#N)C(OCC)=O
SPLASH splash10-0irs-0690000000-1c90f35f85b66794f323
Source of Spectrum RSA-6-44341/SM3-(E)_4gc
Synonyms Ethyl (E)-7-cyano-2-(3,5-dimethyl-1H-pyrrol-2-yl)hept-2-enoate
Wiley ID 1807183