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

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, neopentyl ester
SpectraBase Compound ID 6u8JYTfe6y6
InChI InChI=1S/C16H20ClNO4/c1-16(2,3)10-22-15(20)8-7-14(19)18-12-9-11(17)5-6-13(12)21-4/h5-9H,10H2,1-4H3,(H,18,19)/b8-7+
InChIKey AWQMGJDVYVKQHQ-BQYQJAHWSA-N
Mol Weight 325.79 g/mol
Molecular Formula C16H20ClNO4
Exact Mass 325.108086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8thMoFdch1L
Name Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, neopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 325.108085824 u
Formula C16H20ClNO4
InChI InChI=1S/C16H20ClNO4/c1-16(2,3)10-22-15(20)8-7-14(19)18-12-9-11(17)5-6-13(12)21-4/h5-9H,10H2,1-4H3,(H,18,19)/b8-7+
InChIKey AWQMGJDVYVKQHQ-BQYQJAHWSA-N
Molecular Weight 325.792 g/mol
SMILES COC1=CC=C(C=C1NC(\C=C\C(=O)OCC(C)(C)C)=O)Cl