Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2
SMILES OCCCCCl
InChI Key HXHGULXINZUGJX-UHFFFAOYSA-N
Exact Mass 108.567 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HXHGULXINZUGJX-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/HXHGULXINZUGJX-UHFFFAOYSA-N/CHMO0000596
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:21:19.549246
MetadataModified 2024-09-23T09:25:48.916550
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-C621_1

Date : 20240403

Start time : 10.12 h

Instrument : spect

Label : JBA-4

ID : 119353

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
MCULE-3507644812 Mcule
ZINC000001712476 ZINC
DTXSID2061301 EPA CompTox Dashboard
91667 Brenda
CHEMBL2260957 ChEMBL
87310 ChEBI
HMDB0246381 Human Metabolome Database
J35.120B Nikkaji
490942 eMolecules
MTBLC87310 Metabolights
43431 Brenda
CB5100347 ChemicalBook
10016642 NMRShiftDB
928-51-8 ACToR
42EI3I5AY0 FDA SRS
15194315 PubChem: Thomson Pharma
SCHEMBL1041 SureChEMBL
13569 PubChem
The data in this table is sourced from UniChem at EBI.