Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C36H38N6S3/c1-5-9-11-23(7-3)21-41-29-15-27(13-25(17-37)18-38)43-33(29)35-31(41)32-36(45-35)34-30(16-28(44-34)14-26(19-39)20-40)42(32)22-24(8-4)12-10-6-2/h13-16,23-24H,5-12,21-22H2,1-4H3
SMILES CCCCC(Cn1c2cc(sc2c2c1c1c(s2)c2c(n1CC(CCCC)CC)cc(s2)C=C(C#N)C#N)C=C(C#N)C#N)CC
InChI Key WFUIZUUECRFDES-UHFFFAOYSA-N
Exact Mass 650.922 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WFUIZUUECRFDES-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/WFUIZUUECRFDES-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 : 2025-10-14

Start time : 10:24:22 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-26175

ID : 355202

Solvent : CDCl3

Temperature : 298.002911549601 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
J3.412.944D Nikkaji
122399997 PubChem
The data in this table is sourced from UniChem at EBI.