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
License URL
Source	https://www.chemotion-repository.net/inchikey/GOUHYARYYWKXHS-UHFFFAOYSA-N/CHMO0000596
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:00:28.371939
MetadataModified	2024-09-23T09:21:03.542746
MetadataPublished	2023-11-22
Related Molecule

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 300.0 K K Puls programme : deptsp90 Number of scans : 256 Title : CCP-871 Date : 20231121 Start time : 18.01 h Instrument : spect Label : CCP-839 ID : 138075 Solvent : DMSO

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