Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H16N2/c1-16-13-10-6-7-11-14(13)17(2)15(16)12-8-4-3-5-9-12/h3-11,15H,1-2H3
SMILES CN1C(c2ccccc2)N(c2c1cccc2)C
InChI Key VDFIVJSRRJXMAU-UHFFFAOYSA-N
Exact Mass 224.301 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VDFIVJSRRJXMAU-UHFFFAOYSA-N/CHMO0000599.1
License URL
Source https://www.chemotion-repository.net/inchikey/VDFIVJSRRJXMAU-UHFFFAOYSA-N/CHMO0000599.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:26:49.791383
MetadataModified 2024-09-23T09:23:13.445282
MetadataPublished 2024-05-17
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : FAS-R28A-Volla.

date : 20240426

starting time : 15.48 h

instrument : spect

label : FAS-85

id : 116407

Solvent : DMSO

Data-Source Molecule ID Data-Source
199049 PubChem
15960658 PubChem: Thomson Pharma
3652-92-4 ACToR
SCHEMBL993337 SureChEMBL
CB72154218 ChemicalBook
MCULE-8940618569 Mcule
DTXSID90190025 EPA CompTox Dashboard
J69.240I Nikkaji
ZINC000000225668 ZINC
The data in this table is sourced from UniChem at EBI.