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/C5H6F2O2/c1-2-3-5(6,7)4(8)9/h2H,1,3H2,(H,8,9)
SMILES C=CCC(C(=O)O)(F)F
InChI Key LHOKYUDUAYXFGF-UHFFFAOYSA-N
Molecular Formula C5H6F2O2
Exact Mass 136.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LHOKYUDUAYXFGF-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/LHOKYUDUAYXFGF-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:32:16.641368
MetadataModified 2024-09-07T12:44:49.126504
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
17398599 PubChem: Thomson Pharma
16615091 eMolecules
11954656 PubChem
SCHEMBL614455 SureChEMBL
89591 NMRShiftDB
CB41496972 ChemicalBook
J667.392I Nikkaji
ZINC000019735923 ZINC
DTXSID30474654 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.