Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

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/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/VWKVPNYVURHBJP-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-1,3-dioxolan-2-yl]-3-methylquinoxaline
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197211 PubChem
    The data in this table is sourced from UniChem at EBI.