Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3
SMILES COc1cc(CC#N)cc(c1)OC
InChI Key UUNRWZQWCNTSCV-UHFFFAOYSA-N
Exact Mass 177.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UUNRWZQWCNTSCV-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/UUNRWZQWCNTSCV-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:06:22.723576
MetadataModified 2024-09-23T09:23:02.420664
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 : SVS-CCP-2493

Date : 20240224

Start time : 6.28 h

Instrument : spect

Label : CCP-2385

ID : 170301

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
DTXSID50158409 EPA CompTox Dashboard
CB2372596 ChemicalBook
ZINC000000400318 ZINC
13388-75-5 ACToR
16472367 PubChem: Thomson Pharma
523814 eMolecules
139445 PubChem
J1.521.570D Nikkaji
MolPort-000-154-649 MolPort
SCHEMBL1046247 SureChEMBL
MCULE-5280699028 Mcule
The data in this table is sourced from UniChem at EBI.