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/C16H16IN/c17-15-9-14-8-6-12-3-1-11(2-4-12)5-7-13(15)10-16(14)18/h1-4,9-10H,5-8,18H2
SMILES Nc1cc2CCc3ccc(CCc1cc2I)cc3
InChI Key PVILTAUSENDDNO-UHFFFAOYSA-N
Molecular Formula C16H16IN
Exact Mass 349.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PVILTAUSENDDNO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PVILTAUSENDDNO-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:14:14.564624
MetadataModified 2024-09-07T20:39:58.576623
MetadataPublished 2021-11-01
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
157010410 PubChem
The data in this table is sourced from UniChem at EBI.