Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H
SMILES Fc1ccccc1c1cn2c(n1)c(Cl)cc(c2)C(F)(F)F
InChI Key RAEZJUWRAYPJAR-UHFFFAOYSA-N
Molecular Formula C14H7ClF4N2
Exact Mass 314.665 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RAEZJUWRAYPJAR-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/RAEZJUWRAYPJAR-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:37:24.709757
MetadataModified 2024-09-08T00:37:24.709762
MetadataPublished 2023-03-03
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
166638639 PubChem
The data in this table is sourced from UniChem at EBI.