Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3
SMILES COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)Cl
InChI Key JBWYRBLDOOOJEU-UHFFFAOYSA-N
Exact Mass 338.827 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JBWYRBLDOOOJEU-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/JBWYRBLDOOOJEU-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-24
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-08-13

Start time : 06:09:56 UTC

Creator : Fabian Schönle

Label : CCP-3740

ID : 383757

Solvent : CDCl3

Temperature : 298.003360685375 K K

Puls programme : deptsp135

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
96831 PubChem
SCHEMBL26862 SureChEMBL
MCULE-2183483176 Mcule
CB3442487 ChemicalBook
477598 eMolecules
40615-36-9 ACToR
14777879 PubChem: Thomson Pharma
DTXSID50193618 EPA CompTox Dashboard
J208.384A Nikkaji
ZINC000003860826 ZINC
The data in this table is sourced from UniChem at EBI.