Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C6H5BrO3/c7-3-1-4(8)6(10)5(9)2-3/h1-2,8-10H
SMILES Brc1cc(O)c(c(c1)O)O
InChI Key GZKWULQSPPFVMV-UHFFFAOYSA-N
Exact Mass 205.006 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GZKWULQSPPFVMV-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/GZKWULQSPPFVMV-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-12-01

Start time : 14:00:51 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : SVS-4078

ID : 397902

Solvent : DMSO

Temperature : 298.001803681359 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
CB12665408 ChemicalBook
J1.996.304G Nikkaji
ZINC000097437811 ZINC
SCHEMBL1879308 SureChEMBL
22497907 PubChem
The data in this table is sourced from UniChem at EBI.