Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C29H14F17NO/c30-16-9-5-14(6-10-16)13-47-19-4-2-1-3-18(19)20(21(47)15-7-11-17(31)12-8-15)22(48)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46/h1-12H,13H2
SMILES Fc1ccc(cc1)c1c(c2c(n1Cc1ccc(cc1)F)cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key PXXDVSMLHGSDBP-UHFFFAOYSA-N
Molecular Formula C29H14F17NO
Exact Mass 715.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PXXDVSMLHGSDBP-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/PXXDVSMLHGSDBP-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-1-[2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]indol-3-yl]octan-1-one
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889705 PubChem
    The data in this table is sourced from UniChem at EBI.