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3-(4-Nitrophenyl)benzoic acid

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

3-(4-Nitrophenyl)benzoic acid
SpectraBase Compound ID 1hXV3WBp0ST
InChI InChI=1S/C13H9NO4/c15-13(16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)14(17)18/h1-8H,(H,15,16)
InChIKey ZWQRSJSVYWEXHN-UHFFFAOYSA-N
Mol Weight 243.22 g/mol
Molecular Formula C13H9NO4
Exact Mass 243.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7w0mxpVjBVX
Name 3-(4-nitrophenyl)benzoic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO4
InChI InChI=1S/C13H9NO4/c15-13(16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)14(17)18/h1-8H,(H,15,16)
InChIKey ZWQRSJSVYWEXHN-UHFFFAOYSA-N
Molecular Weight 243.218 g/mol
SMILES OC(c1cc(-c2ccc(cc2)N(=O)=O)ccc1)=O
SPLASH splash10-0f6x-0490000000-35a5546f062ba005b05c
Source of Spectrum E1-39-221-15
Wiley ID 1598707