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5-(4-Carboxy-2-nitrophenoxy)isophthalic acid

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

5-(4-Carboxy-2-nitrophenoxy)isophthalic acid
SpectraBase Compound ID AbB97xwHkw2
InChI InChI=1S/C15H9NO9/c17-13(18)7-1-2-12(11(6-7)16(23)24)25-10-4-8(14(19)20)3-9(5-10)15(21)22/h1-6H,(H,17,18)(H,19,20)(H,21,22)
InChIKey MKKODOYJRMAENI-UHFFFAOYSA-N
Mol Weight 347.24 g/mol
Molecular Formula C15H9NO9
Exact Mass 347.027731 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8eXL7AsD7GR
Name 5-(4-Carboxy-2-nitrophenoxy)isophthalic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 371726
CAS Registry Number 143193-46-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9NO9
InChI InChI=1S/C15H9NO9/c17-13(18)7-1-2-12(11(6-7)16(23)24)25-10-4-8(14(19)20)3-9(5-10)15(21)22/h1-6H,(H,17,18)(H,19,20)(H,21,22)
InChIKey MKKODOYJRMAENI-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms LABOTEST-BB LT00452182 4-(3,5-DICARBOXYPHENOXY)-3-NITROBENZOIC ACID 3-NITRO-4-(3,5-DICARBOXYPHENOXY)-BENZOIC ACID
Wiley ID SIAL_13CNMR_007969