Dataset

distortionless enhancement with polarization transfer (DEPT)

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

InChI	InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
SMILES	CC(=O)c1c(O)cccc1O
InChI Key	YPTJKHVBDCRKNF-UHFFFAOYSA-N
Exact Mass	152.147 g/mol

Data and Resources

Field	Value
DOI	10.14272/YPTJKHVBDCRKNF-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/YPTJKHVBDCRKNF-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:01:20.968202
MetadataModified	2024-09-23T09:21:06.301770
MetadataPublished	2023-12-01

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-3674 Date : 20231128 Start time : 20.30 h Instrument : spect Label : CCP-3504 ID : 285904 Solvent : DMSO

Data-Source Molecule ID	Data-Source
CHEMBL454739	ChEMBL
J141.629D	Nikkaji
HY-Y0106	MedChemExpress
9EQ	PDBe
50249071	BindingDB
173644	ChEBI
WAKHEW	CCDC
DTXSID00220185	EPA CompTox Dashboard
ZINC000000157768	ZINC
CB9707858	ChemicalBook
HMDB0029660	Human Metabolome Database
71295	Brenda
476215	eMolecules
MCULE-4595729640	Mcule
69687	PubChem
20209859	NMRShiftDB
PD158440	ProbesDrugs
88BO51G3Y2	FDA SRS
15120176	PubChem: Thomson Pharma
699-83-2	ACToR
SCHEMBL105807	SureChEMBL
The data in this table is sourced from UniChem at EBI.