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/C11H12IN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
SMILES Ic1ccc2c(c1)C(C)(C)C(=N2)C
InChI Key GCSMQZIBGLQVLL-UHFFFAOYSA-N
Molecular Formula C11H12IN
Exact Mass 285.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GCSMQZIBGLQVLL-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/GCSMQZIBGLQVLL-UHFFFAOYSA-N/1HNMR
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:55:11.796147
MetadataModified 2024-09-07T14:50:45.116940
MetadataPublished 2019-03-25
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J1.770.238F Nikkaji
21858026 PubChem
SCHEMBL2344035 SureChEMBL
49686572 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.