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/C31H19F17N4O2/c1-14-16(50-18-7-3-2-6-17(18)49-14)10-11-21-22(52-20-9-5-4-8-19(20)51-21)23-53-13-15(54-23)12-24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48/h2-11,15,23H,12-13H2,1H3/b11-10+
SMILES Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key DBNVVGCBNDLOJC-ZHACJKMWSA-N
Molecular Formula C31H19F17N4O2
Exact Mass 802.481 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBNVVGCBNDLOJC-ZHACJKMWSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DBNVVGCBNDLOJC-ZHACJKMWSA-N/CHMO0001146
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:24:29.600678
MetadataModified 2024-09-07T22:02:25.165210
MetadataPublished 2022-04-17
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
163197182 PubChem
The data in this table is sourced from UniChem at EBI.