Dataset

3-ACETYL-2,6-DIMETHYL-2,5-HEPTADIENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009773 contains the MS mass spectrum of 3-ACETYL-2,6-DIMETHYL-2,5-HEPTADIENE with the InChIkey XUOWQIBGRJIEDN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H18O/c1-8(2)6-7-11(9(3)4)10(5)12/h6H,7H2,1-5H3
SMILES CC(C)=CCC(=C(C)C)C(C)=O
InChI Key XUOWQIBGRJIEDN-UHFFFAOYSA-N
Molecular Formula C11H18O
Exact Mass 166.136 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-JP009773
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:35.606949
MetadataModified 2024-01-11T15:55:35.768999
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL9502042 SureChEMBL
DTXSID20531563 EPA CompTox Dashboard
J26.207B Nikkaji
13244983 PubChem
The data in this table is sourced from UniChem at EBI.