Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C14H22N2O4S/c1-13(2,3)19-11(17)15-9-7-21-8-10(9)16-12(18)20-14(4,5)6/h7-8H,1-6H3,(H,15,17)(H,16,18)
SMILES O=C(Nc1cscc1NC(=O)OC(C)(C)C)OC(C)(C)C
InChI Key RZTIDQOQMAWXGI-UHFFFAOYSA-N
Exact Mass 314.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RZTIDQOQMAWXGI-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/RZTIDQOQMAWXGI-UHFFFAOYSA-N/CHMO0000596.1
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 : 2025-08-15

Start time : 23:38:27 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-25224

ID : 355781

Solvent : CDCl3

Temperature : 297.999647829646 K K

Puls programme : deptsp135

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
1066439 surechembl
21794094 pubchem
The data in this table is sourced from UniChem at EBI.