Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
SMILES CCCCCC=C
InChI Key ZGEGCLOFRBLKSE-UHFFFAOYSA-N
Exact Mass 98.186 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZGEGCLOFRBLKSE-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/ZGEGCLOFRBLKSE-UHFFFAOYSA-N/CHMO0000596
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:23:17.018999
MetadataModified 2024-09-23T09:25:57.806762
MetadataPublished 2024-08-07
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : JBA-1-Hepten

Date : 20240719

Start time : 1.09 h

Instrument : spect

Label : CCP-3577

ID : 317558

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
MCULE-5868303078 Mcule
11610 PubChem
SCHEMBL22178 SureChEMBL
O748KJ11V7 FDA SRS
164404 Brenda
175074 Brenda
CB7378609 ChemicalBook
492952 eMolecules
15170442 PubChem: Thomson Pharma
68526-53-4 ACToR
60019438 NMRShiftDB
186747 ChEBI
592-76-7 ACToR
J6.763F Nikkaji
DTXSID2060466 EPA CompTox Dashboard
ZINC000001699515 ZINC
LMFA11000319 LipidMaps
The data in this table is sourced from UniChem at EBI.