Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H11BrO5/c1-7(14)17-10-4-3-5-11(18-8(2)15)12(10)9(16)6-13/h3-5H,6H2,1-2H3
SMILES BrCC(=O)c1c(cccc1OC(=O)C)OC(=O)C
InChI Key MNINUXVBVLVPGN-UHFFFAOYSA-N
Exact Mass 315.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MNINUXVBVLVPGN-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/MNINUXVBVLVPGN-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:37:22.782334
MetadataModified 2024-09-23T09:27:03.743339
MetadataPublished 2024-08-30
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : SG-V4122 (6)

Date : 20240217

Start time : 0.12 h

Instrument : spect

Label : SG-3538

ID : 295591

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
11381474 PubChem
16475334 PubChem: Thomson Pharma
SCHEMBL5707733 SureChEMBL
J1.683.090I Nikkaji
The data in this table is sourced from UniChem at EBI.