Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H7BrO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
SMILES Brc1cccc2c1C(=O)c1ccccc1C2=O
InChI Key CXTPIHZYOGDSLV-UHFFFAOYSA-N
Exact Mass 287.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CXTPIHZYOGDSLV-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/CXTPIHZYOGDSLV-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:33:47.791853
MetadataModified 2024-09-23T09:26:42.464185
MetadataPublished 2024-08-28
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp135

Number of scans : 256

Title : FAS-632-83-7

Date : 20240525

Start time : 6.40 h

Instrument : spect

Label : FAS-122

ID : 117347

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
J33.314J Nikkaji
CHEMBL4436985 ChEMBL
12444 PubChem
MCULE-1328244133 Mcule
10018752 NMRShiftDB
BRANTO CCDC
2341964 eMolecules
632-83-7 ACToR
SCHEMBL472644 SureChEMBL
ZINC000003896785 ZINC
DTXSID10212556 EPA CompTox Dashboard
CB4720209 ChemicalBook
The data in this table is sourced from UniChem at EBI.