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nitroterphthalic acid, dimethyl ester

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

nitroterphthalic acid, dimethyl ester
SpectraBase Compound ID EU8wD69DjMi
InChI InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
InChIKey PAYWCKGMOYQZAW-UHFFFAOYSA-N
Mol Weight 239.18 g/mol
Molecular Formula C10H9NO6
Exact Mass 239.042987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LF6G2PrsYEC
Name NITROTEREPHTHALIC ACID, DIMETHYL ESTER
Source of Sample Eastman Organic Chemicals, Rochester, New York
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO6
InChI InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
InChIKey PAYWCKGMOYQZAW-UHFFFAOYSA-N
Melting Point 74-77C
Molecular Weight 239.19
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TEREPHTHALIC ACID, NITRO-, DIMETHYL ESTER