Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
SMILES OCCCCCCO
InChI Key XXMIOPMDWAUFGU-UHFFFAOYSA-N
Exact Mass 118.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXMIOPMDWAUFGU-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/XXMIOPMDWAUFGU-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:21:59.223606
MetadataModified 2024-09-23T09:25:52.452486
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-CCP-3742

Date : 20240604

Start time : 1.21 h

Instrument : spect

Label : JBA-12

ID : 119369

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
CB4160863 ChemicalBook
49110 Brenda
29252 Brenda
20097248 NMRShiftDB
12374 PubChem
SCHEMBL15343 SureChEMBL
43078 ChEBI
PD008131 ProbesDrugs
ZIA319275I FDA SRS
140434-69-1 ACToR
15170579 PubChem: Thomson Pharma
629-11-8 ACToR
490866 eMolecules
MCULE-8817570517 Mcule
DTXSID1027265 EPA CompTox Dashboard
ZINC000001555566 ZINC
J6.886A Nikkaji
FECCOF CCDC
HEXANEDIOL rxnorm
DB02210 DrugBank
CHEMBL458616 ChEMBL
HEZ PDBe
The data in this table is sourced from UniChem at EBI.