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3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenemalonic acid, dimethyl ester

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

3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenemalonic acid, dimethyl ester
SpectraBase Compound ID DU6TUzGoYV7
InChI InChI=1S/C15H11ClO6/c1-21-14(19)10(15(20)22-2)9-11(16)13(18)8-6-4-3-5-7(8)12(9)17/h3-6,10H,1-2H3
InChIKey PMCVROYHZJIALF-UHFFFAOYSA-N
Mol Weight 322.7 g/mol
Molecular Formula C15H11ClO6
Exact Mass 322.024416 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9CquUuIykX4
Name 3-CHLORO-1,4-DIHYDRO-1,4-DIOXO-2-NAPTHALENEMALONIC ACID, DIMETHYL ESTER
Source of Sample M. Okamoto, Kyoto College of Pharmacy, Kyoto, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11ClO6
InChI InChI=1S/C15H11ClO6/c1-21-14(19)10(15(20)22-2)9-11(16)13(18)8-6-4-3-5-7(8)12(9)17/h3-6,10H,1-2H3
InChIKey PMCVROYHZJIALF-UHFFFAOYSA-N
Melting Point 145-147C
Molecular Weight 322.70
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2-NAPHTHALENEMALONIC ACID, 3-CHLORO- 1,4-DIHYDRO-1,4-DIOXO-, DIMETHYL ESTER