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Isobutyl (2E)-3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-2-propenoate
SpectraBase Compound ID Fl4YBoo2wrd
InChI InChI=1S/C18H16ClNO3/c1-12(2)11-22-18(21)14(10-20)9-16-7-8-17(23-16)13-3-5-15(19)6-4-13/h3-9,12H,11H2,1-2H3/b14-9+
InChIKey VALUPZLRMJTDBM-NTEUORMPSA-N
Mol Weight 329.78 g/mol
Molecular Formula C18H16ClNO3
Exact Mass 329.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuH26JpJY6W
Name Isobutyl (2E)-3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-2-propenoate
CAS Registry Number 301339-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClNO3
InChI InChI=1S/C18H16ClNO3/c1-12(2)11-22-18(21)14(10-20)9-16-7-8-17(23-16)13-3-5-15(19)6-4-13/h3-9,12H,11H2,1-2H3/b14-9+
InChIKey VALUPZLRMJTDBM-NTEUORMPSA-N
Molecular Weight 329.783 g/mol
SMILES c1(\C=C\(C(OCC(C)C)=O)C#N)oc(-c2ccc(cc2)Cl)cc1
SPLASH splash10-05bf-9661000000-27c000547710595c381a
Source of Spectrum AD-0-2532-0
Synonyms (E)-3-[5-(4-chlorophenyl)-2-furanyl]-2-cyano-2-propenoic acid 2-methylpropyl ester (E)-3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-acrylic acid isobutyl ester 2-Methylpropyl (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-prop-2-enoate isobutyl (E)-3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-prop-2-enoate Propenoic acid, 2-cyano-3-[5-(4-chlorophenyl)-2-furyl)-, 2-methylpropyl-
Wiley ID 1432602