Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
SMILES OC(c1ccc(cc1)F)C(=O)O
InChI Key RWCMOQXHIDWDDJ-UHFFFAOYSA-N
Exact Mass 170.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RWCMOQXHIDWDDJ-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/RWCMOQXHIDWDDJ-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:32:24.291447
MetadataModified 2024-09-23T09:26:34.423777
MetadataPublished 2024-08-19
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-3765

Date : 20240817

Start time : 1.16 h

Instrument : spect

Label : CCP-3584

ID : 321770

Solvent : DMSO

Data-Source Molecule ID Data-Source
CHEMBL2003248 ChEMBL
884304 eMolecules
SCHEMBL196919 SureChEMBL
61080 Brenda
CB2285960 ChemicalBook
J213.632E Nikkaji
MCULE-8562671113 Mcule
98068 PubChem
The data in this table is sourced from UniChem at EBI.