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/C11H14INO/c1-2-3-8-11(14)13-10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3,(H,13,14)
SMILES CCCCC(=O)Nc1ccccc1I
InChI Key OQFQJYTYXVKRSH-UHFFFAOYSA-N
Molecular Formula C11H14INO
Exact Mass 303.139 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OQFQJYTYXVKRSH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OQFQJYTYXVKRSH-UHFFFAOYSA-N/CHMO0000593
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:13:30.831945
MetadataModified 2024-09-07T22:50:49.988683
MetadataPublished 2022-09-15
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
60629618 PubChem
MCULE-3145470440 Mcule
The data in this table is sourced from UniChem at EBI.