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4-chloro-2-nitrobenzoic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

4-chloro-2-nitrobenzoic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester
SpectraBase Compound ID HPlQcDsNlCm
InChI InChI=1S/C18H16ClNO6/c1-11(21)3-4-12-5-8-16(17(9-12)25-2)26-18(22)14-7-6-13(19)10-15(14)20(23)24/h5-10H,3-4H2,1-2H3
InChIKey LAOFQSPDGIIBST-UHFFFAOYSA-N
Mol Weight 377.78 g/mol
Molecular Formula C18H16ClNO6
Exact Mass 377.066615 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 40XiWwliB2p
Name 4-CHLORO-2-NITROBENZOIC ACID, 2-METHOXY-4-(3-OXOBUTYL)PHENYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClNO6
InChI InChI=1S/C18H16ClNO6/c1-11(21)3-4-12-5-8-16(17(9-12)25-2)26-18(22)14-7-6-13(19)10-15(14)20(23)24/h5-10H,3-4H2,1-2H3
InChIKey LAOFQSPDGIIBST-UHFFFAOYSA-N
Melting Point 70-73C
Molecular Weight 377.78
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 4-CHLORO-2-NITRO-, 2-METHOXY-4-/3-OXOBUTYL/PHENYL ESTER 2-BUTANONE, 4-/4-HYDROXY-3-METHOXYPHENYL/-, 4-CHLORO-2-NITROBENZOATE (ESTER)