Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C31H20F15NO2/c1-16-7-9-17(10-8-16)15-47-21-6-4-3-5-20(21)22(23(47)18-11-13-19(49-2)14-12-18)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-14H,15H2,1-2H3
SMILES COc1ccc(cc1)c1c(c2c(n1Cc1ccc(cc1)C)cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key KIRFLFIRAMPYKM-UHFFFAOYSA-N
Molecular Formula C31H20F15NO2
Exact Mass 723.472 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KIRFLFIRAMPYKM-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/KIRFLFIRAMPYKM-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-[2-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indol-3-yl]octan-1-one
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889709 PubChem
    The data in this table is sourced from UniChem at EBI.