Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m1/s1
SMILES C=CCOC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
InChI Key OJBNDXHENJDCBA-JOCHJYFZSA-N
Molecular Formula C25H28N2O6
Exact Mass 452.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OJBNDXHENJDCBA-JOCHJYFZSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/OJBNDXHENJDCBA-JOCHJYFZSA-N/CHMO0000596.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:18:51.254762
MetadataModified 2025-01-29T16:11:59.475169
MetadataPublished 2024-11-08
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp135

Number of scans : 256

Title : SVS-CC05206

Date : 20240316

Start time : 0.17 h

Instrument : spect

Label : SV-434

ID : 118440

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
51340505 PubChem
ZINC000015722156 ZINC
DTXSID40679799 EPA CompTox Dashboard
CB6365103 ChemicalBook
8829870 eMolecules
SCHEMBL178771 SureChEMBL
The data in this table is sourced from UniChem at EBI.