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/C18H12F3N3O/c1-25-12-6-4-5-11(9-12)15-10-22-17-16(18(19,20)21)23-13-7-2-3-8-14(13)24(15)17/h2-10H,1H3
SMILES COc1cccc(c1)c1cnc2n1c1ccccc1nc2C(F)(F)F
InChI Key RGFFLDSTQTWVHZ-UHFFFAOYSA-N
Molecular Formula C18H12F3N3O
Exact Mass 343.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RGFFLDSTQTWVHZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RGFFLDSTQTWVHZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-15T03:12:19.848973
MetadataModified 2025-03-16T03:11:24.585087
MetadataPublished 2025-03-14
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