Dataset

distortionless enhancement with polarization transfer (DEPT)

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

InChI	InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
SMILES	BrCC(=O)c1ccccc1
InChI Key	LIGACIXOYTUXAW-UHFFFAOYSA-N
Molecular Formula	C8H7BrO
Exact Mass	199.045 g/mol

Data and Resources

Field	Value
DOI	10.14272/LIGACIXOYTUXAW-UHFFFAOYSA-N/CHMO0000596
License URL
Source	https://www.chemotion-repository.net/inchikey/LIGACIXOYTUXAW-UHFFFAOYSA-N/CHMO0000596
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-04T13:27:35.332008
MetadataModified	2025-02-04T13:27:35.332019
MetadataPublished	2025-01-08
Related Molecule

Data-Source Molecule ID	Data-Source
CHEMBL102953	ChEMBL
51846	ChEBI
CB6305185	ChemicalBook
7875	BindingDB
URELEJ	CCDC
J4.874G	Nikkaji
FL0	PDBe
ZINC000000331704	ZINC
DTXSID2049426	EPA CompTox Dashboard
SCHEMBL19331717	SureChEMBL
123540	Brenda
107036	Brenda
218162	Brenda
MTBLC51846	Metabolights
109412	Brenda
20096924	NMRShiftDB
MCULE-7283563738	Mcule
6259	PubChem
257634	Brenda
PD136239	ProbesDrugs
15219987	PubChem: Thomson Pharma
SCHEMBL7621	SureChEMBL
70-11-1	ACToR
754Y0U325I	FDA SRS
479087	eMolecules
The data in this table is sourced from UniChem at EBI.

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables