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/C13H11IO2/c14-12-7-2-1-6-11(12)13(16)9-4-3-5-10(15)8-9/h1-8,13,15-16H
SMILES Oc1cccc(c1)C(c1ccccc1I)O
InChI Key HYRDZZNEPBMZNR-UHFFFAOYSA-N
Molecular Formula C13H11IO2
Exact Mass 326.130 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HYRDZZNEPBMZNR-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/HYRDZZNEPBMZNR-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:04:39.844688
MetadataModified 2024-09-07T13:32:59.952525
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427507 PubChem
The data in this table is sourced from UniChem at EBI.