Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
SMILES Nc1cc(cc(c1N)Cl)C(F)(F)F
InChI Key NVNLHLRVSHJKBN-UHFFFAOYSA-N
Exact Mass 210.584 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NVNLHLRVSHJKBN-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/NVNLHLRVSHJKBN-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:12:35.976415
MetadataModified 2024-09-23T09:22:35.593679
MetadataPublished 2024-03-21
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : SG-V4074 HPLC

Date : 20240111

Start time : 23.24 h

Instrument : spect

Label : SG-3472

ID : 288864

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
735784 PubChem
132915-80-1 ACToR
716742 eMolecules
CB6238696 ChemicalBook
ZINC000000152845 ZINC
DTXSID90352828 EPA CompTox Dashboard
MCULE-6698513159 Mcule
SCHEMBL904486 SureChEMBL
194656 ChEBI
The data in this table is sourced from UniChem at EBI.