Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/KIRFLFIRAMPYKM-UHFFFAOYSA-N/CHMO0001146
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:32:52.749588
MetadataModified 2024-09-07T23:16:38.505872
MetadataPublished 2022-09-15
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889709 PubChem
The data in this table is sourced from UniChem at EBI.