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/C16H14I2/c17-15-10-14-8-6-12-2-1-11(3-4-12)5-7-13(15)9-16(14)18/h1-4,9-10H,5-8H2
SMILES Ic1cc2CCc3ccc(CCc1cc2I)cc3
InChI Key ZNKKJEBSWNCGDA-UHFFFAOYSA-N
Molecular Formula C16H14I2
Exact Mass 460.091 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNKKJEBSWNCGDA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZNKKJEBSWNCGDA-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:33:52.313056
MetadataModified 2024-09-07T19:48:01.411290
MetadataPublished 2021-05-24
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
155919819 PubChem
TENXES CCDC
The data in this table is sourced from UniChem at EBI.