Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3
SMILES Cc1ccnc(c1)C(=O)C
InChI Key HRVQMQWVGKYDCF-UHFFFAOYSA-N
Exact Mass 135.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HRVQMQWVGKYDCF-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/HRVQMQWVGKYDCF-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:13:02.798444
MetadataModified 2024-09-23T09:20:37.512330
MetadataPublished 2023-12-20
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-3683

Date : 20231211

Start time : 20.21 h

Instrument : spect

Label : CCP-3513

ID : 287596

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
564760 PubChem
20142264 NMRShiftDB
J2.362.507E Nikkaji
DTXSID20340450 EPA CompTox Dashboard
ZINC000002387302 ZINC
HMDB0037071 Human Metabolome Database
CB7680395 ChemicalBook
515450 eMolecules
179150 ChEBI
14793793 PubChem: Thomson Pharma
SCHEMBL397492 SureChEMBL
The data in this table is sourced from UniChem at EBI.