Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
SMILES SCc1ccc(cc1)CS
InChI Key IYPNRTQAOXLCQW-UHFFFAOYSA-N
Exact Mass 170.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IYPNRTQAOXLCQW-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/IYPNRTQAOXLCQW-UHFFFAOYSA-N/CHMO0000596
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:47:02.881445
MetadataModified 2024-09-23T09:24:52.098788
MetadataPublished 2024-05-21
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 298.0 K K

Puls programme : deptsp135

Number of scans : 256

Title : Jan26-2024

Date : 20240127

Start time : 16.10 h

Instrument : Avance NEO

Label : KT-664

ID : 291526

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
66043 PubChem
SCHEMBL127369 SureChEMBL
K48UBZ9IMD FDA SRS
CB6348355 ChemicalBook
105-09-9 ACToR
482264 eMolecules
16214598 PubChem: Thomson Pharma
DTXSID1059313 EPA CompTox Dashboard
MCULE-9201172948 Mcule
ZINC000000388282 ZINC
J182.192J Nikkaji
The data in this table is sourced from UniChem at EBI.