Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C18H17F2N5O4/c1-3-28-18(27)16-9-24(7-12-4-13(19)6-14(20)5-12)22-17(16)25-8-15(21-23-25)10-29-11(2)26/h4-6,8-9H,3,7,10H2,1-2H3
SMILES CCOC(=O)c1cn(nc1n1nnc(c1)COC(=O)C)Cc1cc(F)cc(c1)F
InChI Key OEMVMGJIOKDNBC-UHFFFAOYSA-N
Molecular Formula C18H17F2N5O4
Exact Mass 405.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OEMVMGJIOKDNBC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OEMVMGJIOKDNBC-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 3-[4-(acetyloxymethyl)triazol-1-yl]-1-[(3,5-difluorophenyl)methyl]pyrazole-4-carboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.