Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3
SMILES CCCC#C
InChI Key IBXNCJKFFQIKKY-UHFFFAOYSA-N
Exact Mass 68.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IBXNCJKFFQIKKY-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/IBXNCJKFFQIKKY-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:01:10.132112
MetadataModified 2024-09-23T09:20:24.899369
MetadataPublished 2023-12-01
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp135

Number of scans : 256

Title : SG-CCP-3669

Date : 20231128

Start time : 2.57 h

Instrument : spect

Label : CCP-3499

ID : 285730

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
CHEMBL16262 ChEMBL
492475 eMolecules
CB9414651 ChemicalBook
DTXSID7060835 EPA CompTox Dashboard
ZINC000002031638 ZINC
12309 PubChem
15321013 PubChem: Thomson Pharma
627-19-0 ACToR
10005629 NMRShiftDB
SCHEMBL56198 SureChEMBL
J43.570H Nikkaji
The data in this table is sourced from UniChem at EBI.