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/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
SMILES OC(C(F)(F)F)c1ccccc1
InChI Key VNOMEAQPOMDWSR-UHFFFAOYSA-N
Molecular Formula C8H7F3O
Exact Mass 176.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VNOMEAQPOMDWSR-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/VNOMEAQPOMDWSR-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Franziska Glaeser
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:45:10.221675
MetadataModified 2024-09-07T13:04:01.763985
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
95556 PubChem
257633 Brenda
340-06-7 ACToR
14794063 PubChem: Thomson Pharma
340-04-5 ACToR
SCHEMBL44838 SureChEMBL
10531-50-7 ACToR
MCULE-5377113658 Mcule
J227.686K Nikkaji
88282 Brenda
218130 Brenda
CB6766348 ChemicalBook
CB3766347 ChemicalBook
CHEMBL320271 ChEMBL
497359 eMolecules
The data in this table is sourced from UniChem at EBI.