Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C62H78N6S5/c1-5-9-13-17-21-25-29-47(30-26-22-18-14-10-6-2)67-51-39-55(53-35-33-49(69-53)37-45(41-63)42-64)71-59(51)61-57(67)58-62(73-61)60-52(40-56(72-60)54-36-34-50(70-54)38-46(43-65)44-66)68(58)48(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h33-40,47-48H,5-32H2,1-4H3
SMILES CCCCCCCCC(n1c2cc(sc2c2c1c1c(s2)c2c(n1C(CCCCCCCC)CCCCCCCC)cc(s2)c1ccc(s1)C=C(C#N)C#N)c1ccc(s1)C=C(C#N)C#N)CCCCCCCC
InChI Key DIYPGLYFQDSXQR-UHFFFAOYSA-N
Exact Mass 1067.648 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DIYPGLYFQDSXQR-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/DIYPGLYFQDSXQR-UHFFFAOYSA-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 : 2025-11-16

Start time : 14:46:24 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-26444

ID : 355295

Solvent : CDCl3

Temperature : 298.002552240982 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
122390933 pubchem
The data in this table is sourced from UniChem at EBI.