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Ethyl (2Z)-2-Chloro-3-{1-[dichloro(cyano)methyl]isoquinolin-2(1H)-yl}prop-2-enoate
SpectraBase Compound ID Fr6IdvHmZaP
InChI InChI=1S/C16H13Cl3N2O2/c1-2-23-15(22)13(17)9-21-8-7-11-5-3-4-6-12(11)14(21)16(18,19)10-20/h3-9,14H,2H2,1H3/b13-9-
InChIKey UYSHWEGGBAULDA-LCYFTJDESA-N
Mol Weight 371.65 g/mol
Molecular Formula C16H13Cl3N2O2
Exact Mass 370.004261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAOqz1ReY9X
Name Ethyl (2Z)-2-Chloro-3-{1-[dichloro(cyano)methyl]isoquinolin-2(1H)-yl}prop-2-enoate
Alternate Name(s) Ethyl (Z)-2-chloro-3-(1-(dichloro(cyano)methyl)isoquinolin-2(1H)-yl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13Cl3N2O2
InChI InChI=1S/C16H13Cl3N2O2/c1-2-23-15(22)13(17)9-21-8-7-11-5-3-4-6-12(11)14(21)16(18,19)10-20/h3-9,14H,2H2,1H3/b13-9-
InChIKey UYSHWEGGBAULDA-LCYFTJDESA-N
Literature Reference DOI 10.1002/hlca.201000279
Molecular Weight 371.651 g/mol
SMILES C(\C(=C\N1C(c2ccccc2C=C1)C(C#N)(Cl)Cl)Cl)(=O)OCC
SPLASH splash10-03di-2391000000-b0e7afddcdb174cd2b3a
Source of Spectrum H-94-815-15
Wiley ID 1785983