Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H13NO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,14H2,1H3
SMILES COc1ccc(cc1)Oc1ccc(cc1)N
InChI Key VTYZDTAGEMAJMM-UHFFFAOYSA-N
Exact Mass 215.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTYZDTAGEMAJMM-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/VTYZDTAGEMAJMM-UHFFFAOYSA-N/CHMO0001150
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:32:49.887899
MetadataModified 2024-09-23T09:26:38.600196
MetadataPublished 2024-08-26
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : CCP-3708 CDCl3

date : 20240608

starting time : 9.32 h

instrument : spect

label : JAL-47

id : 118092

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
101402 PubChem
MCULE-5677490132 Mcule
TAPMED CCDC
DTXSID70185373 EPA CompTox Dashboard
ZINC000000282311 ZINC
J278.124G Nikkaji
CB5349991 ChemicalBook
567181 eMolecules
31465-36-8 ACToR
SCHEMBL177916 SureChEMBL
The data in this table is sourced from UniChem at EBI.