Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H11BrO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,6H2,1-2H3
SMILES BrCC(=O)c1ccc(c(c1)OC)OC
InChI Key NUAIPKMBWNVQIM-UHFFFAOYSA-N
Exact Mass 259.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NUAIPKMBWNVQIM-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/NUAIPKMBWNVQIM-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:30:07.415670
MetadataModified 2024-09-16T10:40:10.733890
MetadataPublished
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-V4096(10-18)

Date : 20240131

Start time : 19.39 h

Instrument : spect

Label : SG-3504

ID : 292492

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
838311 eMolecules
ZINC000001703889 ZINC
DTXSID50296951 EPA CompTox Dashboard
MCULE-2171995209 Mcule
CB8366861 ChemicalBook
1835-02-5 ACToR
16193590 PubChem: Thomson Pharma
J503.058G Nikkaji
270423 PubChem
SCHEMBL426444 SureChEMBL
The data in this table is sourced from UniChem at EBI.