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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CRgeOwpw40I
Name 5-NITROISOPHTHALIC ACID, MONOMETHYL ESTER
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Catalog Number 73455
CAS Registry Number 1955-46-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula 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
Melting Point 180-182C
Molecular Weight 225.156006
Synonyms ISOPHTHALIC ACID, 5-NITRO-, MONO- METHYL ESTER
Technique KBr WAFER