Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1 |
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SMILES | [O-]C(=O)C.CCCC[N+](CCCC)(CCCC)CCCC |
InChI Key | MCZDHTKJGDCTAE-UHFFFAOYSA-M |
Exact Mass | 301.508 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/MCZDHTKJGDCTAE-UHFFFAOYSA-M/CHMO0000593 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MCZDHTKJGDCTAE-UHFFFAOYSA-M/CHMO0000593 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:31:39.410988 |
MetadataModified | 2024-09-23T09:26:28.298577 |
MetadataPublished | 2024-08-19 |
Field | Value |
---|---|
Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1079205 | ChEMBL |
498788 | eMolecules |
CB5237001 | ChemicalBook |
82707 | PubChem |
14776178 | PubChem: Thomson Pharma |
10534-59-5 | ACToR |
SCHEMBL36122 | SureChEMBL |
MolPort-003-930-373 | MolPort |
163565 | Brenda |
DTXSID8065111 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |