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/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
SMILES CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
InChI Key JRMUNVKIHCOMHV-UHFFFAOYSA-M
Molecular Formula C16H36BrN
Exact Mass 322.368 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JRMUNVKIHCOMHV-UHFFFAOYSA-M/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/JRMUNVKIHCOMHV-UHFFFAOYSA-M/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:21:15.096275
MetadataModified 2024-09-08T04:21:15.096280
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL60696 ChEMBL
51993 ChEBI
487182 eMolecules
DTXSID4044400 EPA CompTox Dashboard
CB2447834 ChemicalBook
55176 Brenda
CB3347418 ChemicalBook
CB2965174 ChemicalBook
CB4355696 ChemicalBook
SCHEMBL1891 SureChEMBL
MCULE-2428370031 Mcule
10016928 NMRShiftDB
14801484 PubChem: Thomson Pharma
74236 PubChem
1643-19-2 ACToR
VJZ168I98R FDA SRS
22020579 PubChem
The data in this table is sourced from UniChem at EBI.