Dataset

distortionless enhancement with polarization transfer (DEPT)

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

InChI	InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
SMILES	Cc1ccc2c(n1)c1nc(C)ccc1cc2
InChI Key	IYRGXJIJGHOCFS-UHFFFAOYSA-N
Exact Mass	208.258 g/mol

Data and Resources

Field	Value
DOI	10.14272/IYRGXJIJGHOCFS-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/IYRGXJIJGHOCFS-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:16:39.361807
MetadataModified	2024-09-23T09:21:51.679814
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-1636 Date : 20240123 Start time : 15.36 h Instrument : spect Label : CCP-1548 ID : 138786 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
65237	PubChem
PD011780	ProbesDrugs
8E7D2SH3BV	FDA SRS
LSM-19991	LINCS
SCHEMBL124563	SureChEMBL
303136-82-5	ACToR
484-11-7	ACToR
15195686	PubChem: Thomson Pharma
HMDB0255520	Human Metabolome Database
MCULE-3651567163	Mcule
J5.993E	Nikkaji
QQQACY	CCDC
ZINC000000119332	ZINC
91222	ChEBI
DTXSID5060065	EPA CompTox Dashboard
64740	BindingDB
CB2293909	ChemicalBook
16736	Brenda
43051	Brenda
98136	Brenda
4845	Brenda
CB0429520	ChemicalBook
CHEMBL375781	ChEMBL
592480	eMolecules
The data in this table is sourced from UniChem at EBI.