Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H11BrSi/c1-8(2,3)6-4-5-7/h5H2,1-3H3
SMILES BrCC#C[Si](C)(C)C
InChI Key GAPRPFRDVCCCHR-UHFFFAOYSA-N
Molecular Formula C6H11BrSi
Exact Mass 191.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GAPRPFRDVCCCHR-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/GAPRPFRDVCCCHR-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:18:13.377477
MetadataModified 2025-01-29T16:11:22.885716
MetadataPublished 2024-10-29
Related Molecule
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : FAS-CCP-3778

date : 20240925

starting time : 22.30 h

instrument : spect

label : CCP-3598

id : 326754

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
ZINC000169743414 ZINC
DTXSID80349040 EPA CompTox Dashboard
J534.042J Nikkaji
CB1151699 ChemicalBook
SCHEMBL24235 SureChEMBL
20026938 NMRShiftDB
15899425 PubChem: Thomson Pharma
642589 PubChem
502776 eMolecules
The data in this table is sourced from UniChem at EBI.