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/C24H18F17N3O/c1-2-3-6-12-11-42-15-16(43-13-7-4-5-8-14(13)44(12)15)45-10-9-17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h4-5,7-8,11H,2-3,6,9-10H2,1H3
SMILES CCCCc1cnc2n1c1ccccc1nc2OCCC(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 ICMDLGQTBHAPKS-UHFFFAOYSA-N
Molecular Formula C24H18F17N3O
Exact Mass 687.392 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ICMDLGQTBHAPKS-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ICMDLGQTBHAPKS-UHFFFAOYSA-N/CHMO0001146
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:59:20.080711
MetadataModified 2024-09-07T21:37:56.504294
MetadataPublished 2022-02-11
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
162623400 PubChem
The data in this table is sourced from UniChem at EBI.