Dataset

distortionless enhancement with polarization transfer (DEPT)

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

Chemical Info

molecular Image
InChI InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)44(34-58)55(61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)54(43)60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60/h1-32H
SMILES N#Cc1c(n2c3ccccc3c3c2cccc3)c(n2c3ccccc3c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)C#N)n1c2ccccc2c2c1cccc2
InChI Key PRWATGACIORDEL-UHFFFAOYSA-N
Exact Mass 788.893 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PRWATGACIORDEL-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/PRWATGACIORDEL-UHFFFAOYSA-N/CHMO0000596
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:49:00.510508
MetadataModified 2024-09-23T09:25:06.141596
MetadataPublished 2024-05-29
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Temperature : 300.0 K K

Puls programme : deptsp90

Number of scans : 256

Title : FAS-R21-Vollcharakt

Date : 20240415

Start time : 17.29 h

Instrument : spect

Label : FAS-97

ID : 297784

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
SCHEMBL16175920 SureChEMBL
CB82655585 ChemicalBook
102198498 PubChem
YUGDOV CCDC
J3.172.993I Nikkaji
The data in this table is sourced from UniChem at EBI.