Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C24H8F12N2/c25-21(26,27)13-3-11(4-14(7-13)22(28,29)30)17-1-2-18(20(10-38)19(17)9-37)12-5-15(23(31,32)33)8-16(6-12)24(34,35)36/h1-8H
SMILES N#Cc1c(C#N)c(ccc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key YBFUDLAIFSCTMT-UHFFFAOYSA-N
Molecular Formula C24H8F12N2
Exact Mass 552.315 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBFUDLAIFSCTMT-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YBFUDLAIFSCTMT-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-08T03:01:59.505678
MetadataModified 2025-03-09T03:11:33.823093
MetadataPublished 2025-03-07
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J3.333.175D Nikkaji
102335597 PubChem
The data in this table is sourced from UniChem at EBI.