Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
SMILES Nc1cccc2c1C(=O)c1ccccc1C2=O
InChI Key KHUFHLFHOQVFGB-UHFFFAOYSA-N
Exact Mass 223.227 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KHUFHLFHOQVFGB-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/KHUFHLFHOQVFGB-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:34:04.404121
MetadataModified 2024-09-23T09:26:45.132467
MetadataPublished 2024-08-28
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : FAS-82-45-1

Date : 20240523

Start time : 7.47 h

Instrument : spect

Label : FAS-125

ID : 117350

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
DTXSID2052572 EPA CompTox Dashboard
50094891 BindingDB
J55.383B Nikkaji
BOSMOM CCDC
ZINC000003850741 ZINC
CHEMBL88502 ChEMBL
CB9435391 ChemicalBook
135932 Brenda
49642 Brenda
6710 PubChem
N5YYY1NEUI FDA SRS
15196017 PubChem: Thomson Pharma
25620-59-1 ACToR
82-45-1 ACToR
SCHEMBL26348 SureChEMBL
476444 eMolecules
MCULE-5289394961 Mcule
30101668 NMRShiftDB
The data in this table is sourced from UniChem at EBI.