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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-isopropoxyphenyl ester

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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-isopropoxyphenyl ester
SpectraBase Compound ID HF06PU2CsaJ
InChI InChI=1S/C20H20ClNO5/c1-13(2)26-15-5-7-16(8-6-15)27-20(24)11-10-19(23)22-17-12-14(21)4-9-18(17)25-3/h4-13H,1-3H3,(H,22,23)/b11-10+
InChIKey MDDFRWTXOCFFMH-ZHACJKMWSA-N
Mol Weight 389.84 g/mol
Molecular Formula C20H20ClNO5
Exact Mass 389.103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EdkIdQsUGT
Name Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.103000443 u
Formula C20H20ClNO5
InChI InChI=1S/C20H20ClNO5/c1-13(2)26-15-5-7-16(8-6-15)27-20(24)11-10-19(23)22-17-12-14(21)4-9-18(17)25-3/h4-13H,1-3H3,(H,22,23)/b11-10+
InChIKey MDDFRWTXOCFFMH-ZHACJKMWSA-N
Molecular Weight 389.835 g/mol
SMILES C1=C(C=CC(=C1)OC(C)C)OC(=O)\C=C\C(=O)NC=1C(OC)=CC=C(C1)Cl