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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7kLTqzy3Cx
Name 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester
Alternate Name(s) Terephthalic acid, nitro-, dimethyl ester 2-Nitrobenzene-1,4-dicarboxylic acid dimethyl ester Dimethyl 2-nitro-1,4-benzenedicarboxylate Dimethyl 2-nitrobenzene-1,4-dicarboxylate Dimethyl 2-nitroterephthalate Dimethyl nitroterephthalate Nitroterephthalic acid dimethyl ester EINECS 226-134-1 NSC 5056
CAS Registry Number 5292-45-5
Copyright Copyright © 2020-2024 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
Molecular Weight 239.183 g/mol
SMILES COC(=O)c1c(N(=O)=O)cc(C(OC)=O)cc1
SPLASH splash10-0a6r-9440000000-1872cd4419ca8448fc7b
Source of Spectrum W5-20666-0-0
Wiley ID 1241692