Dataset
PENTYL BENZENE
Chemical Info
InChI | InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3 |
---|---|
SMILES | CCCCCc(c1)cccc1 |
InChI Key | PWATWSYOIIXYMA-UHFFFAOYSA-N |
Molecular Formula | C11H16 |
Exact Mass | 148.125 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008572 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:08.327747 |
MetadataModified | 2024-01-11T15:56:08.501031 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
478867 | eMolecules |
5409M6Z67M | FDA SRS |
538-68-1 | ACToR |
27458-20-4 | ACToR |
16214218 | PubChem: Thomson Pharma |
J6.376B | Nikkaji |
MCULE-8118768843 | Mcule |
176693 | ChEBI |
DTXSID6022054 | EPA CompTox Dashboard |
HURNUD | CCDC |
3H2 | PDBe |
ZINC000001699444 | ZINC |
175818 | Brenda |
20025123 | NMRShiftDB |
CB9339077 | ChemicalBook |
HMDB0059834 | Human Metabolome Database |
SCHEMBL35869 | SureChEMBL |
10864 | PubChem |
The data in this table is sourced from UniChem at EBI. |