Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C16H36N.HI/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.[I-] |
InChI Key | DPKBAXPHAYBPRL-UHFFFAOYSA-M |
Exact Mass | 369.368 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/DPKBAXPHAYBPRL-UHFFFAOYSA-M/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DPKBAXPHAYBPRL-UHFFFAOYSA-M/CHMO0001148 |
Version | |
Author | Alex Johnson |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:14:40.785864 |
MetadataModified | 2024-09-23T09:25:33.044186 |
MetadataPublished | 2024-07-17 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1079248 | ChEMBL |
SCHEMBL24883 | SureChEMBL |
14877303 | PubChem: Thomson Pharma |
311-28-4 | ACToR |
MCULE-5045350443 | Mcule |
22005936 | PubChem |
DTXSID30878092 | EPA CompTox Dashboard |
67553 | PubChem |
95141 | Brenda |
CB0187592 | ChemicalBook |
481570 | eMolecules |
The data in this table is sourced from UniChem at EBI. |