Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C30H18F15NO/c1-18-11-13-20(14-12-18)17-46(22-10-6-5-9-21(22)16-15-19-7-3-2-4-8-19)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,17H2,1H3
SMILES Cc1ccc(cc1)CN(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1C#Cc1ccccc1
InChI Key BLSONMKAHHANBL-UHFFFAOYSA-N
Molecular Formula C30H18F15NO
Exact Mass 693.446 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BLSONMKAHHANBL-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/BLSONMKAHHANBL-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(4-methylphenyl)methyl]-N-[2-(2-phenylethynyl)phenyl]octanamide
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889720 PubChem
    The data in this table is sourced from UniChem at EBI.