Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
SMILES NNS(=O)(=O)c1ccccc1
InChI Key VJRITMATACIYAF-UHFFFAOYSA-N
Exact Mass 172.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJRITMATACIYAF-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/VJRITMATACIYAF-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:51:28.637540
MetadataModified 2024-09-23T09:20:20.813171
MetadataPublished 2023-11-07
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : SG-CCP-3659

Date : 20231103

Start time : 21.43 h

Instrument : spect

Label : CCP-3488

ID : 281626

Solvent : DMSO

Data-Source Molecule ID Data-Source
MCULE-2463772974 Mcule
65723 PubChem
SEGLAR CCDC
WM3 PDBe
J145.957K Nikkaji
ZINC000000154607 ZINC
DTXSID0052548 EPA CompTox Dashboard
14843171 PubChem: Thomson Pharma
CB4711849 ChemicalBook
80-17-1 ACToR
479990 eMolecules
SCHEMBL1109 SureChEMBL
AC8C87U2TA FDA SRS
The data in this table is sourced from UniChem at EBI.