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Fumaric acid, monoamide, N-(2-ethylphenyl)-, 4-chloro-2-methylphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-ethylphenyl)-, 4-chloro-2-methylphenyl ester
SpectraBase Compound ID Et4rBwBVK16
InChI InChI=1S/C19H18ClNO3/c1-3-14-6-4-5-7-16(14)21-18(22)10-11-19(23)24-17-9-8-15(20)12-13(17)2/h4-12H,3H2,1-2H3,(H,21,22)/b11-10+
InChIKey ZNQKRUXQBCNWHG-ZHACJKMWSA-N
Mol Weight 343.81 g/mol
Molecular Formula C19H18ClNO3
Exact Mass 343.097521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMJUiItdnyl
Name Fumaric acid, monoamide, N-(2-ethylphenyl)-, 4-chloro-2-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.097521141 u
Formula C19H18ClNO3
InChI InChI=1S/C19H18ClNO3/c1-3-14-6-4-5-7-16(14)21-18(22)10-11-19(23)24-17-9-8-15(20)12-13(17)2/h4-12H,3H2,1-2H3,(H,21,22)/b11-10+
InChIKey ZNQKRUXQBCNWHG-ZHACJKMWSA-N
Molecular Weight 343.810 g/mol
SMILES CC1=C(C=CC(=C1)Cl)OC(=O)\C=C\C(=O)NC=1C(CC)=CC=CC1