Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
SMILES COc1ccc(cc1)C(=O)C
InChI Key NTPLXRHDUXRPNE-UHFFFAOYSA-N
Exact Mass 150.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NTPLXRHDUXRPNE-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/NTPLXRHDUXRPNE-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:31:54.312830
MetadataModified 2024-09-23T09:26:30.521246
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-3767

Date : 20240816

Start time : 22.35 h

Instrument : spect

Label : CCP-3586

ID : 321772

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
HMDB0032570 Human Metabolome Database
CB1132155 ChemicalBook
478440 eMolecules
86567 ChEBI
144486 Brenda
8521 Brenda
68742 Brenda
DTXSID2044347 EPA CompTox Dashboard
ZINC000000157405 ZINC
50376209 BindingDB
259053 Brenda
0IRH2BR587 FDA SRS
15091059 PubChem: Thomson Pharma
SCHEMBL41285 SureChEMBL
100-06-1 ACToR
MCULE-1570220566 Mcule
J5.163B Nikkaji
7476 PubChem
10024793 NMRShiftDB
YAJQIJ CCDC
CHEMBL401912 ChEMBL
O9F PDBe
The data in this table is sourced from UniChem at EBI.