Dataset

distortionless enhancement with polarization transfer (DEPT)

Chemical Information

InChI	InChI=1S/C12H8N2.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H2
SMILES	c1ccc2c(n1)c1ncccc1cc2.O
InChI Key	PPQJCISYYXZCAE-UHFFFAOYSA-N
Exact Mass	198.221 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PPQJCISYYXZCAE-UHFFFAOYSA-N/CHMO0000596
License URL
Source	https://www.chemotion-repository.net/inchikey/PPQJCISYYXZCAE-UHFFFAOYSA-N/CHMO0000596
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-08-24
Related Molecule

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Date : 2025-07-30 Start time : 20:11:13 UTC Creator : Fabian Schönle Label : CCP-3726 ID : 379249 Solvent : CDCl3 Temperature : 298.00156414228 K K Puls programme : deptsp135 Number of scans : 256 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
CHEMBL1255788	ChEMBL
DTXSID6075302	EPA CompTox Dashboard
HY-Y1841	MedChemExpress
SCHEMBL44857	SureChEMBL
CB8290304	ChemicalBook
711572	eMolecules
KSX215X00E	FDA SRS
5144-89-8	ACToR
136332863	PubChem: Thomson Pharma
21226	PubChem
PD088224	ProbesDrugs
The data in this table is sourced from UniChem at EBI.