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5-Nitro-2-[(pyridin-3-ylmethyl)-amino]-benzoic acid

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

5-Nitro-2-[(pyridin-3-ylmethyl)-amino]-benzoic acid
SpectraBase Compound ID 8JGQTwd5h95
InChI InChI=1S/C13H11N3O4/c17-13(18)11-6-10(16(19)20)3-4-12(11)15-8-9-2-1-5-14-7-9/h1-7,15H,8H2,(H,17,18)
InChIKey UNRHHSLXQOXJTL-UHFFFAOYSA-N
Mol Weight 273.25 g/mol
Molecular Formula C13H11N3O4
Exact Mass 273.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G78sdZ0LEZC
Name 5-Nitro-2-[(pyridin-3-ylmethyl)-amino]-benzoic acid
Alternate Name(s) 5-Nitro-2-(3-pyridinylmethylamino)benzoic acid 5-Nitro-2-(3-pyridylmethylamino)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O4
InChI InChI=1S/C13H11N3O4/c17-13(18)11-6-10(16(19)20)3-4-12(11)15-8-9-2-1-5-14-7-9/h1-7,15H,8H2,(H,17,18)
InChIKey UNRHHSLXQOXJTL-UHFFFAOYSA-N
Molecular Weight 273.248 g/mol
SMILES N(c1ccc(cc1C(=O)O)N(=O)=O)Cc1cnccc1
SPLASH splash10-006x-9430000000-0fc5e19aee586aa4e360
Wiley ID 1447603