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/C9H10ClNO2/c10-5-9(13)11-8-4-2-1-3-7(8)6-12/h1-4,12H,5-6H2,(H,11,13)
SMILES ClCC(=O)Nc1ccccc1CO
InChI Key ZAEGYMSJKPJYAV-UHFFFAOYSA-N
Molecular Formula C9H10ClNO2
Exact Mass 199.634 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZAEGYMSJKPJYAV-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/ZAEGYMSJKPJYAV-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:26:35.808779
MetadataModified 2024-09-07T12:36:13.455318
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
22591220 PubChem
36027512 eMolecules
ZINC000037008866 ZINC
DTXSID30626656 EPA CompTox Dashboard
SCHEMBL2635445 SureChEMBL
The data in this table is sourced from UniChem at EBI.