Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H12N2S/c1-12-7-10-8-14-11(13-10)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3
SMILES CNCc1csc(n1)c1ccccc1
InChI Key UGRXAOUDHZOHPF-UHFFFAOYSA-N
Exact Mass 204.291 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UGRXAOUDHZOHPF-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/UGRXAOUDHZOHPF-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:58:50.850998
MetadataModified 2024-09-23T09:25:23.737242
MetadataPublished 2024-07-01
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : CCP-3744

Date : 20240608

Start time : 15.00 h

Instrument : spect

Label : JAL-48

ID : 118093

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
26248854 PubChem
MCULE-4657058461 Mcule
1013102 eMolecules
SCHEMBL14416100 SureChEMBL
DTXSID70649884 EPA CompTox Dashboard
ZINC000014807384 ZINC
The data in this table is sourced from UniChem at EBI.