Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
SMILES BrCC(=O)c1ccc(cc1)OC
InChI Key XQJAHBHCLXUGEP-UHFFFAOYSA-N
Exact Mass 229.071 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XQJAHBHCLXUGEP-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/XQJAHBHCLXUGEP-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:30:27.184620
MetadataModified 2024-09-23T09:26:17.545159
MetadataPublished 2024-08-15
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp135

Number of scans : 256

Title : SG-V4099 (15-23)

Date : 20240201

Start time : 7.49 h

Instrument : spect

Label : SG-3507

ID : 292873

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
CHEMBL103009 ChEMBL
HY-W013478 MedChemExpress
PV5M69J53H FDA SRS
DUDJES CCDC
J192.152E Nikkaji
ZINC000000159091 ZINC
DTXSID20180934 EPA CompTox Dashboard
2632-13-5 ACToR
15196159 PubChem: Thomson Pharma
SCHEMBL202055 SureChEMBL
PD043997 ProbesDrugs
4965 PubChem
CB2715762 ChemicalBook
7879 BindingDB
479066 eMolecules
MCULE-9798979049 Mcule
20025664 NMRShiftDB
The data in this table is sourced from UniChem at EBI.