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/C19H15IO3/c1-22-17-11-15(18(21)14-9-5-6-10-16(14)20)19(23-2)13-8-4-3-7-12(13)17/h3-11H,1-2H3
SMILES COc1c(cc(c2c1cccc2)OC)C(=O)c1ccccc1I
InChI Key VIFKGORYWDYOJX-UHFFFAOYSA-N
Molecular Formula C19H15IO3
Exact Mass 418.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VIFKGORYWDYOJX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VIFKGORYWDYOJX-UHFFFAOYSA-N/CHMO0000593
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:15:35.793300
MetadataModified 2024-09-07T18:05:37.431996
MetadataPublished 2020-05-07
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J3.290.750D Nikkaji
UYUDEA CCDC
102125950 PubChem
The data in this table is sourced from UniChem at EBI.