Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3
SMILES CCOC(=O)c1ccc(c(c1)N)Br
InChI Key PPVXNRMIVXWQKP-UHFFFAOYSA-N
Exact Mass 244.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PPVXNRMIVXWQKP-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/PPVXNRMIVXWQKP-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:34:15.772310
MetadataModified 2024-09-23T09:26:45.796736
MetadataPublished 2024-08-30
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-V4163 (11-27)

Date : 20240315

Start time : 9.53 h

Instrument : spect

Label : SG-3590

ID : 299000

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
SCHEMBL9119581 SureChEMBL
19919763 PubChem
ZINC000041086415 ZINC
MolPort-012-782-693 MolPort
The data in this table is sourced from UniChem at EBI.