Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C22H12F2O4/c23-17-8-4-13(5-9-17)19(25)21(27)15-2-1-3-16(12-15)22(28)20(26)14-6-10-18(24)11-7-14/h1-12H
SMILES O=C(C(=O)c1ccc(cc1)F)c1cccc(c1)C(=O)C(=O)c1ccc(cc1)F
InChI Key MUTBIULUDQLOCZ-UHFFFAOYSA-N
Exact Mass 378.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MUTBIULUDQLOCZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MUTBIULUDQLOCZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Sarah Wulff
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
date : 2024-07-03

starting time : 07:35:22 UTC

creator : Aleksandra Vranic

label : SAW-45

id : 313032

Solvent : DMSO

temperature : 297.9993 K

PULPROG : zg30

number of scans : 16 scans

instrument : Avance NEO

Name : TopSpin

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