Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
SMILES Cc1cccc(c1)C(=O)O
InChI Key GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Molecular Formula C8H8O2
Exact Mass 136.148 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GPSDUZXPYCFOSQ-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/GPSDUZXPYCFOSQ-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-24
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-08-15

Start time : 12:04:03 UTC

Creator : Simone Gräßle

Label : CCP-3737

ID : 382632

Solvent : DMSO

Temperature : 297.998689673328 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
CHEBI:10589 chebi
OVV rcsb_pdb
CHEMBL67450 chembl
14406 surechembl
29382709 surechembl
7418 pubchem
1UA7K8EEXT fdasrs
ZZZKWI CCDC
12350 brenda
170371 brenda
189653 brenda
32281 brenda
93991 brenda
95892 brenda
HMDB0062810 hmdb
Molport-000-871-579 molport
50405326 bindingdb
The data in this table is sourced from UniChem at EBI.