Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
SMILES O=Cc1c(C)cc(cc1C)C
InChI Key HIKRJHFHGKZKRI-UHFFFAOYSA-N
Exact Mass 148.202 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HIKRJHFHGKZKRI-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/HIKRJHFHGKZKRI-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:11:56.705292
MetadataModified 2024-09-23T09:20:32.838264
MetadataPublished 2023-12-15
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : CCP-3687

Date : 20231213

Start time : 10.01 h

Instrument : spect

Label : CCP-3517

ID : 287605

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
15219202 PubChem: Thomson Pharma
525984 eMolecules
SCHEMBL79252 SureChEMBL
487-68-3 ACToR
195893 ChEBI
PD158346 ProbesDrugs
10254 PubChem
20044497 NMRShiftDB
MESPCL CCDC
HY-W017469 MedChemExpress
MCULE-1095029386 Mcule
CHEMBL3560744 ChEMBL
J113.341A Nikkaji
DTXSID5052125 EPA CompTox Dashboard
ZINC000001651948 ZINC
4W00MG84DR FDA SRS
CB1279973 ChemicalBook
HMDB0032016 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.