Dataset

distortionless enhancement with polarization transfer (DEPT)

Chemical Info

InChI	InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2
SMILES	BrCc1ccc(c(c1)Br)CBr
InChI Key	QOTLBTLQTHPRIW-UHFFFAOYSA-N
Exact Mass	342.853 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:28:35.475771
MetadataModified	2024-09-23T09:23:20.204871
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 298.0 K K Puls programme : deptsp135 Number of scans : 256 Title : Jan19-2024 Date : 20240120 Start time : 22.00 h Instrument : Avance NEO Label : KT-660 ID : 291403 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
19900-52-8	ACToR
262239	PubChem
7415970	eMolecules
ZINC000001621359	ZINC
DTXSID70294272	EPA CompTox Dashboard
CB93204327	ChemicalBook
VEJRAF	CCDC
J3.165.921C	Nikkaji
SCHEMBL3373171	SureChEMBL
The data in this table is sourced from UniChem at EBI.