| 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 |
