Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

InChI	InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
SMILES	O=C1NC(=O)NC1(c1ccccc1)c1ccccc1
InChI Key	CXOFVDLJLONNDW-UHFFFAOYSA-N
Molecular Formula	C15H12N2O2
Exact Mass	252.268 g/mol

Data and Resources

Field	Value
DOI	10.14272/CXOFVDLJLONNDW-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/CXOFVDLJLONNDW-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-08
Related Molecule

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Date : 2025-08-28 Start time : 13:20:19 UTC Creator : Simone Gräßle Label : CCP-3747 ID : 384727 Solvent : DMSO Temperature : 298.000336504499 K K Puls programme : deptsp135 Number of scans : 256 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
DB00252	drugbank
CHEMBL16	chembl
3440	surechembl
146015336	pubchem
1775	pubchem
6158TKW0C5	fdasrs
2624	gtopdb
PD002756	probes_and_drugs
PHYDAN	CCDC
103877	brenda
10642	brenda
108876	brenda
256547	brenda
43502	brenda
49993	brenda
HMDB0014397	hmdb
50032223	bindingdb
50161877	bindingdb
50339142	bindingdb
50339248	bindingdb
50339360	bindingdb
50339521	bindingdb
50371166	bindingdb
50458614	bindingdb
50608763	bindingdb
50619096	bindingdb
50721746	bindingdb
50721750	bindingdb
50750044	bindingdb
50819719	bindingdb
50820469	bindingdb
50822192	bindingdb
50904323	bindingdb
50909612	bindingdb
51020500	bindingdb
51147938	bindingdb
51148450	bindingdb
51150582	bindingdb
51153415	bindingdb
51188852	bindingdb
51212170	bindingdb
Molport-001-785-683	molport
Molport-002-365-712	molport
2152	drugcentral
The data in this table is sourced from UniChem at EBI.