Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C29H16F15NO/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(46)45(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2
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)Cc1ccccc1
InChI Key NHZMGCSFZOZGJL-UHFFFAOYSA-N
Molecular Formula C29H16F15NO
Exact Mass 679.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHZMGCSFZOZGJL-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/NHZMGCSFZOZGJL-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • N-benzyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[2-(2-phenylethynyl)phenyl]octanamide
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889681 PubChem
    The data in this table is sourced from UniChem at EBI.