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/C10H12FNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccccc1F)C
InChI Key XPLIUIMHBPMEQW-UHFFFAOYSA-N
Molecular Formula C10H12FNO
Exact Mass 181.207 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XPLIUIMHBPMEQW-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1
License URL
Source https://www.chemotion-repository.net/inchikey/XPLIUIMHBPMEQW-UHFFFAOYSA-N/NMR/1H/CDCl3/250.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:17:40.567578
MetadataModified 2024-09-07T13:41:52.875690
MetadataPublished 2014-08-06
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL3377192 SureChEMBL
ZINC000003164081 ZINC
MCULE-2094048043 Mcule
3468072 PubChem
The data in this table is sourced from UniChem at EBI.