Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H7ClINO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
SMILES ClCC(=O)Nc1ccccc1I
InChI Key RUANVLHAWBBUHD-UHFFFAOYSA-N
Molecular Formula C8H7ClINO
Exact Mass 295.505 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RUANVLHAWBBUHD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/RUANVLHAWBBUHD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:43:41.914396
MetadataModified 2024-09-07T12:09:08.847612
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MolPort-002-039-879 MolPort
MCULE-7331388138 Mcule
DTXSID60409171 EPA CompTox Dashboard
ZINC000003887567 ZINC
5175232 PubChem
66947-88-4 ACToR
1571424 eMolecules
The data in this table is sourced from UniChem at EBI.