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5-Acetylamido-2-chloroaniline
SpectraBase Compound ID ABH7cgZf0f5
InChI InChI=1S/C8H9ClN2O/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3,(H,11,12)
InChIKey MIIPQGGYCFVDAI-UHFFFAOYSA-N
Mol Weight 184.63 g/mol
Molecular Formula C8H9ClN2O
Exact Mass 184.040341 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ETUPg0Rrcc
Name 5-Acetylamido-2-chloroaniline
Acquisition Mode SIMULTANEOUSFILTERED
CAS Registry Number 51867-83-5
Comments saturated N/A 5-Acetylamido-2-chloroaniline - vendor: Acros 344140050; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C8H9ClN2O
IUPAC Name N-(3-amino-4-chlorophenyl)ethanamide; N-(3-amino-4-chlorophenyl)acetamide
InChI InChI=1S/C8H9ClN2O/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3,(H,11,12)
InChIKey MIIPQGGYCFVDAI-UHFFFAOYSA-N
PubChem Compound ID 103996
SMILES CC(=O)NC1=CC(=C(C=C1)Cl)N
Source File Reference bmse000143