Dataset

distortionless enhancement with polarization transfer (DEPT)

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

InChI	InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
SMILES	O=Cc1ccc(cc1)C(=O)O
InChI Key	GOUHYARYYWKXHS-UHFFFAOYSA-N
Exact Mass	150.131 g/mol

Data and Resources

Field	Value
DOI	10.14272/GOUHYARYYWKXHS-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/GOUHYARYYWKXHS-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:00:37.291353
MetadataModified	2024-09-23T09:21:04.131289
MetadataPublished	2023-11-22

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-871 Date : 20231121 Start time : 18.17 h Instrument : spect Label : CCP-839 ID : 138075 Solvent : DMSO

Data-Source Molecule ID	Data-Source
CHEMBL113897	ChEMBL
479789	eMolecules
SCHEMBL63361	SureChEMBL
MTBLC191179	Metabolights
12088	PubChem
PD055783	ProbesDrugs
191179	ChEBI
619-66-9	ACToR
14747882	PubChem: Thomson Pharma
MCULE-2960554549	Mcule
20096809	NMRShiftDB
UES4QRK36E	FDA SRS
HMDB0246430	Human Metabolome Database
FORBZA	CCDC
J95.030K	Nikkaji
ZINC000000151786	ZINC
DTXSID3027249	EPA CompTox Dashboard
2936	Brenda
48666	Brenda
CB7702071	ChemicalBook
3089	Brenda
The data in this table is sourced from UniChem at EBI.