Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H12SSi/c1-9(2,3)7-5-4-6-8-7/h4-6H,1-3H3
SMILES C[Si](c1cccs1)(C)C
InChI Key OANGLGSZPSFVDY-UHFFFAOYSA-N
Molecular Formula C7H12SSi
Exact Mass 156.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OANGLGSZPSFVDY-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/OANGLGSZPSFVDY-UHFFFAOYSA-N/CHMO0000596
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-11-26

Start time : 09:36:30 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-25558

ID : 355809

Solvent : CDCl3

Temperature : 298.001025179352 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
DTXSID30171297 EPA CompTox Dashboard
ZINC000169743150 ZINC
J567.218J Nikkaji
140360 PubChem
CB5190511 ChemicalBook
15922705 PubChem: Thomson Pharma
18245-28-8 ACToR
497703 eMolecules
SCHEMBL2341397 SureChEMBL
20050834 NMRShiftDB
The data in this table is sourced from UniChem at EBI.