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/C16H15I/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
SMILES Ic1cc2CCc3ccc(CCc1cc2)cc3
InChI Key NOVGGOBCDUEVSG-UHFFFAOYSA-N
Molecular Formula C16H15I
Exact Mass 334.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NOVGGOBCDUEVSG-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/NOVGGOBCDUEVSG-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Carolin Braun
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:38:46.912523
MetadataModified 2024-09-07T12:54:27.495074
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
5102470 PubChem
15896645 PubChem: Thomson Pharma
13177608 eMolecules
SCHEMBL2259389 SureChEMBL
J861.832A Nikkaji
ZINC000003122315 ZINC
MCULE-3394606351 Mcule
The data in this table is sourced from UniChem at EBI.