Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C22H12F2O4/c23-17-8-2-6-15(11-17)21(27)19(25)13-4-1-5-14(10-13)20(26)22(28)16-7-3-9-18(24)12-16/h1-12H
SMILES Fc1cccc(c1)C(=O)C(=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)F
InChI Key KPLDVZKPKRHBBK-UHFFFAOYSA-N
Exact Mass 378.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KPLDVZKPKRHBBK-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/KPLDVZKPKRHBBK-UHFFFAOYSA-N/CHMO0001146
Version
Author Sarah Wulff
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
date : 2025-07-03

starting time : 02:47:03 UTC

creator : Aleksandra Vranic

label : SAW-66

id : 315469

Solvent : CDCl3

temperature : 298.0296 K

PULPROG : hsqcedetgpsisp2.3

number of scans : 4 scans

instrument : Avance NEO

Name : TopSpin

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.