Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C21H14ClN3/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H
SMILES Clc1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1
InChI Key UPOMZZQMFGCHGB-UHFFFAOYSA-N
Exact Mass 343.809 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UPOMZZQMFGCHGB-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/UPOMZZQMFGCHGB-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:16:30.875568
MetadataModified 2024-09-23T09:21:51.131010
MetadataPublished 2024-01-29
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : CCP-3691

Date : 20240124

Start time : 14.27 h

Instrument : spect

Label : CCP-3521

ID : 291811

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
10871645 PubChem
SCHEMBL699036 SureChEMBL
CB7218369 ChemicalBook
J1.559.016E Nikkaji
DTXSID60446622 EPA CompTox Dashboard
17282560 eMolecules
15916590 PubChem: Thomson Pharma
ZINC000035654128 ZINC
The data in this table is sourced from UniChem at EBI.