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/C14H7F3N2O2S/c15-14(16,17)9-3-6-12-11(7-9)18-13(22-12)8-1-4-10(5-2-8)19(20)21/h1-7H
SMILES [O-][N+](=O)c1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key NOWQHDRUEYRYJH-UHFFFAOYSA-N
Molecular Formula C14H7F3N2O2S
Exact Mass 324.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NOWQHDRUEYRYJH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NOWQHDRUEYRYJH-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:32:05.528085
MetadataModified 2024-09-07T17:06:22.986622
MetadataPublished 2020-02-28
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables