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Methyl (E)-.beta.-chloro-.alpha.-cyano-p-nitrocinnamate
SpectraBase Compound ID H0JlobM6sBj
InChI InChI=1S/C11H7ClN2O4/c1-18-11(15)9(6-13)10(12)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3/b10-9+
InChIKey XTLDPMDKKAMCAU-MDZDMXLPSA-N
Mol Weight 266.64 g/mol
Molecular Formula C11H7ClN2O4
Exact Mass 266.009434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7jgJYkFWZk
Name Methyl (E)-.beta.-chloro-.alpha.-cyano-p-nitrocinnamate
Alternate Name(s) Methyl (2E)-3-chloro-2-cyano-3-(4-nitrophenyl)-2-propenoate
CAS Registry Number 80641-22-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7ClN2O4
InChI InChI=1S/C11H7ClN2O4/c1-18-11(15)9(6-13)10(12)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3/b10-9+
InChIKey XTLDPMDKKAMCAU-MDZDMXLPSA-N
Molecular Weight 266.640 g/mol
SMILES c1(\C(=C/(C(=O)OC)C#N)Cl)ccc(N(=O)=O)cc1
SPLASH splash10-015i-0090000000-71caeccf728451ab8db7
Source of Spectrum J-47-1407-0
Wiley ID 1269452