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/C20H17IO2/c21-19-12-5-4-11-18(19)20(22)16-9-6-10-17(13-16)23-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2
SMILES Ic1ccccc1C(c1cccc(c1)OCc1ccccc1)O
InChI Key PNPXRYJZPWZJOP-UHFFFAOYSA-N
Molecular Formula C20H17IO2
Exact Mass 416.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PNPXRYJZPWZJOP-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/PNPXRYJZPWZJOP-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:04:47.455477
MetadataModified 2024-09-07T13:33:10.516230
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427508 PubChem
The data in this table is sourced from UniChem at EBI.