Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C30H15F18NO/c31-23(32,25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)30(46,47)48)22(50)49(16-18-11-14-20(15-12-18)24(33,34)35)21-9-5-4-8-19(21)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,16H2
SMILES O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N(c1ccccc1C#Cc1ccccc1)Cc1ccc(cc1)C(F)(F)F
InChI Key HTXBRLLFGABNKX-UHFFFAOYSA-N
Molecular Formula C30H15F18NO
Exact Mass 747.417 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HTXBRLLFGABNKX-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/HTXBRLLFGABNKX-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-[2-(2-phenylethynyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]octanamide
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889711 PubChem
    The data in this table is sourced from UniChem at EBI.