Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3
SMILES COC(=O)CCBr
InChI Key KQEVIFKPZOGBMZ-UHFFFAOYSA-N
Exact Mass 167.001 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KQEVIFKPZOGBMZ-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/KQEVIFKPZOGBMZ-UHFFFAOYSA-N/CHMO0000596
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:03:50.237381
MetadataModified 2024-09-23T09:22:09.958482
MetadataPublished 2024-02-20
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-3670

Date : 20240126

Start time : 18.34 h

Instrument : spect

Label : JAL-2

ID : 111229

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
SCHEMBL28699 SureChEMBL
20072296 NMRShiftDB
CB9362390 ChemicalBook
76934 PubChem
486177 eMolecules
Y803CH1P4W FDA SRS
16947035 PubChem: Thomson Pharma
3395-91-3 ACToR
J205.497C Nikkaji
MCULE-3565567444 Mcule
ZINC000001666985 ZINC
DTXSID6063010 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.