Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GAPRPFRDVCCCHR-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:18:03.848379
MetadataModified 2025-01-29T16:11:13.096699
MetadataPublished 2024-10-29
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 512

Title : FAS-CCP-3778

Date : 20240925

Start time : 21.22 h

Instrument : spect

Label : CCP-3598

ID : 326754

Solvent : DMSO

Temperature : 300.0 K K

Puls programme : zgpg30

Number of scans : 512

Title : FAS-CCP-3778

Date : 20240925

Start time : 21.57 h

Instrument : spect

Label : CCP-3598

ID : 326754

Solvent : chloroform-D1 (CDCl3)

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