Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H16F15NO/c1-2-14-41(17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,14H2,1H3
SMILES CCCN(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 WARCMTHVIPIJFT-UHFFFAOYSA-N
Molecular Formula C25H16F15NO
Exact Mass 631.377 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WARCMTHVIPIJFT-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/WARCMTHVIPIJFT-UHFFFAOYSA-N/CHMO0001146
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:42:28.515205
MetadataModified 2024-09-07T23:29:16.627521
MetadataPublished 2022-09-15
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889732 PubChem
The data in this table is sourced from UniChem at EBI.