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2-Acetamido-3-nitrobenzoic acid
SpectraBase Compound ID Lnuewmk0wGl
InChI InChI=1S/C9H8N2O5/c1-5(12)10-8-6(9(13)14)3-2-4-7(8)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKey YLXNPMSVXYVEHU-UHFFFAOYSA-N
Mol Weight 224.17 g/mol
Molecular Formula C9H8N2O5
Exact Mass 224.043321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vtJZswnia
Name 2-Acetamido-3-nitrobenzoic acid
Alternate Name(s) 2-(Acetylamino)-3-nitrobenzoic acid
CAS Registry Number 90417-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O5
InChI InChI=1S/C9H8N2O5/c1-5(12)10-8-6(9(13)14)3-2-4-7(8)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKey YLXNPMSVXYVEHU-UHFFFAOYSA-N
Molecular Weight 224.172 g/mol
SMILES N(c1c(C(=O)O)cccc1N(=O)=O)C(=O)C
SPLASH splash10-01po-7900000000-7dddad98768bbdb1b5a8
Wiley ID 1475137