Dataset

distortionless enhancement with polarization transfer (DEPT)

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

InChI	InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
SMILES	c1ccc2c(n1)c1ncccc1cc2
InChI Key	DGEZNRSVGBDHLK-UHFFFAOYSA-N
Exact Mass	180.205 g/mol

Data and Resources

Field	Value
DOI	10.14272/DGEZNRSVGBDHLK-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/DGEZNRSVGBDHLK-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:17:00.446112
MetadataModified	2024-09-23T09:21:53.153453
MetadataPublished	2024-01-29

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 300.0 K K Puls programme : deptsp135 Number of scans : 256 Title : CCP-953 Date : 20240124 Start time : 11.58 h Instrument : spect Label : CCP-917 ID : 138153 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
OPENAN	CCDC
MCULE-2911225521	Mcule
20127648	NMRShiftDB
J4.844E	Nikkaji
HMDB0244053	Human Metabolome Database
44975	ChEBI
SCHEMBL8312	SureChEMBL
14772738	PubChem: Thomson Pharma
66-71-7	ACToR
W4X6ZO7939	FDA SRS
PD002621	ProbesDrugs
1318	PubChem
LSM-18864	LINCS
118217	Brenda
HY-W004544	MedChemExpress
50092158	BindingDB
O-PHENANTHROLINE	rxnorm
ZINC000000164363	ZINC
DTXSID1025857	EPA CompTox Dashboard
62	Brenda
66663	Brenda
15433	Brenda
239	Brenda
25947	Brenda
6650	Brenda
CB4283203	ChemicalBook
69251	Brenda
94537	Brenda
PHN	PDBe
C00604	KEGG Ligand
DB02365	DrugBank
CHEMBL415879	ChEMBL
480572	eMolecules
The data in this table is sourced from UniChem at EBI.