Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C5H4N2S2/c8-5-6-3-1-9-2-4(3)7-5/h1-2H,(H2,6,7,8)
SMILES S=c1[nH]c2c([nH]1)csc2
InChI Key JITVQETUYJVBKJ-UHFFFAOYSA-N
Exact Mass 156.229 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JITVQETUYJVBKJ-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/JITVQETUYJVBKJ-UHFFFAOYSA-N/CHMO0000596
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-08-16

Start time : 02:12:05 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-26256

ID : 355173

Solvent : DMSO

Temperature : 298.000456274038 K K

Puls programme : deptsp135

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
SCHEMBL4291660 SureChEMBL
DTXSID40521380 EPA CompTox Dashboard
13142887 PubChem
The data in this table is sourced from UniChem at EBI.