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5-nitroisophthalic acid, monomethyl ester

View entire compound with spectra: 4 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

5-nitroisophthalic acid, monomethyl ester
SpectraBase Compound ID DZoSM7mv5cN
InChI InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)
InChIKey ZCRNIIJXDRYWDU-UHFFFAOYSA-N
Mol Weight 225.16 g/mol
Molecular Formula C9H7NO6
Exact Mass 225.027337 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FXK3GPotJE5
Name mono-Methyl 5-nitroisophthalate
Catalog Number 237388
Brand ALDRICH
CAS Registry Number 1955-46-0
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO6
Formula (reported) C9H7NO6
InChI InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)
InChIKey ZCRNIIJXDRYWDU-UHFFFAOYSA-N
Purity 99%
Synonyms Monomethyl 5-nitrobenzene-1,3-dicarboxylate
Wiley ID SIAL_RAMAN_005692