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/C10H12INO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccc(cc1)I)C
InChI Key DRCCJCULDBSFBM-UHFFFAOYSA-N
Molecular Formula C10H12INO
Exact Mass 289.113 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DRCCJCULDBSFBM-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1
License URL
Source https://www.chemotion-repository.net/inchikey/DRCCJCULDBSFBM-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:28:29.954457
MetadataModified 2024-09-07T13:58:58.330635
MetadataPublished 2015-05-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
823487 PubChem
2132364 eMolecules
ZINC000000341478 ZINC
SCHEMBL19296965 SureChEMBL
J2.344.015F Nikkaji
MCULE-5240686331 Mcule
The data in this table is sourced from UniChem at EBI.