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/C41H25F17N6O2/c1-20-22(60-24-9-3-2-8-23(24)59-20)14-15-29-30(62-26-11-5-4-10-25(26)61-29)16-17-31-32(64-28-13-7-6-12-27(28)63-31)33-65-19-21(66-33)18-34(42,43)35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58/h2-17,21,33H,18-19H2,1H3/b15-14+,17-16+
SMILES Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/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 PJSXBWDVIGHOEZ-JLXBFWJWSA-N
Molecular Formula C41H25F17N6O2
Exact Mass 956.649 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PJSXBWDVIGHOEZ-JLXBFWJWSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/PJSXBWDVIGHOEZ-JLXBFWJWSA-N/CHMO0001146
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:25:18.693798
MetadataModified 2024-09-07T22:03:02.095147
MetadataPublished 2022-04-17
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
163197184 PubChem
The data in this table is sourced from UniChem at EBI.