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/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3
SMILES COc1ccc(cc1)c1c(c2c(n1Cc1ccccc1)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 CMRJXBBRHLJGQM-UHFFFAOYSA-N
Molecular Formula C30H18F15NO2
Exact Mass 709.445 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CMRJXBBRHLJGQM-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/CMRJXBBRHLJGQM-UHFFFAOYSA-N/CHMO0001146
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:32:16.781611
MetadataModified 2024-09-07T23:15:53.603893
MetadataPublished 2022-09-15
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889707 PubChem
The data in this table is sourced from UniChem at EBI.