Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H12ClNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccccc1Cl)C
InChI Key KZCIDWXYXMLKBQ-UHFFFAOYSA-N
Molecular Formula C10H12ClNO
Exact Mass 197.661 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KZCIDWXYXMLKBQ-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/KZCIDWXYXMLKBQ-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:18:03.108464
MetadataModified 2024-09-07T13:42:26.342218
MetadataPublished 2014-08-08
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J2.378.674E Nikkaji
ZINC000001673388 ZINC
3771815 eMolecules
MCULE-8143337875 Mcule
SCHEMBL5451054 SureChEMBL
6291-28-7 ACToR
220919 PubChem
The data in this table is sourced from UniChem at EBI.