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/C21H13F17N2O2/c1-8-12(40-11-5-3-2-4-10(11)39-8)13-41-7-9(42-13)6-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-5,9,13H,6-7H2,1H3
SMILES Cc1nc2ccccc2nc1C1OCC(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 VWKVPNYVURHBJP-UHFFFAOYSA-N
Molecular Formula C21H13F17N2O2
Exact Mass 648.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VWKVPNYVURHBJP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/VWKVPNYVURHBJP-UHFFFAOYSA-N/CHMO0001146
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:36:59.977784
MetadataModified 2024-09-07T22:12:38.190653
MetadataPublished 2022-04-17
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
163197211 PubChem
The data in this table is sourced from UniChem at EBI.