Dataset
1,4-BUTANEDICARBONITRILE
Chemical Info
InChI | InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2 |
---|---|
SMILES | N#CCCCCC#N |
InChI Key | BTGRAWJCKBQKAO-UHFFFAOYSA-N |
Molecular Formula | C6H8N2 |
Exact Mass | 108.069 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004298 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:17.102084 |
MetadataModified | 2024-01-11T15:56:17.284567 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
69510 | Brenda |
3324 | Brenda |
CB6388968 | ChemicalBook |
475012 | eMolecules |
15321168 | PubChem: Thomson Pharma |
68411-90-5 | ACToR |
CHEMBL2132938 | ChEMBL |
111-69-3 | ACToR |
J2.456B | Nikkaji |
HMDB0248015 | Human Metabolome Database |
BEKFEF | CCDC |
DTXSID3021936 | EPA CompTox Dashboard |
MCULE-6300737279 | Mcule |
248875 | Brenda |
229512 | Brenda |
ZINC000001683668 | ZINC |
10017074 | NMRShiftDB |
8128 | PubChem |
SYT33B891I | FDA SRS |
SCHEMBL59340 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |