Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5-
SMILES [O-][N+](=O)/C(=C\c1cccs1)/C
InChI Key HMPLFCAOIJOKGX-WAYWQWQTSA-N
Exact Mass 169.201 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HMPLFCAOIJOKGX-WAYWQWQTSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/HMPLFCAOIJOKGX-WAYWQWQTSA-N/CHMO0000596
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 : 2025-08-17

Start time : 02:08:01 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-25327

ID : 355643

Solvent : CDCl3

Temperature : 298.000306562114 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
6937-35-5 ACToR
SCHEMBL14733044 SureChEMBL
CHEMBL4292945 ChEMBL
ZINC000000097908 ZINC
708806 PubChem
The data in this table is sourced from UniChem at EBI.