Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H2Br2N2O2/c6-4-1-3(9(10)11)2-5(7)8-4/h1-2H
SMILES Brc1cc(cc(n1)Br)[N+](=O)[O-]
InChI Key XIPATZUHJFQGQC-UHFFFAOYSA-N
Exact Mass 281.890 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XIPATZUHJFQGQC-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/XIPATZUHJFQGQC-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:51:33.791271
MetadataModified 2024-09-23T09:21:00.225579
MetadataPublished 2023-11-07
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-3628

Date : 20231103

Start time : 16.59 h

Instrument : spect

Label : CCP-3456

ID : 271786

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
ZINC000012649698 ZINC
DTXSID70581316 EPA CompTox Dashboard
CB6205757 ChemicalBook
16038748 PubChem
SCHEMBL220662 SureChEMBL
24421407 PubChem: Thomson Pharma
175422-04-5 ACToR
17253732 eMolecules
The data in this table is sourced from UniChem at EBI.