Dataset

3,7,11-TRIMETHYL-6,10-DODECADIENE-1-CARBOXYLIC ACID ETHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010162 contains the MS mass spectrum of 3,7,11-TRIMETHYL-6,10-DODECADIENE-1-CARBOXYLIC ACID ETHYL ESTER with the InChIkey AVNMXCJYOADGLH-RVDMUPIBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h9,11,16H,6-8,10,12-13H2,1-5H3/b15-11+
SMILES CCOC(=O)CC(C)CCC=C(C)CCC=C(C)C
InChI Key AVNMXCJYOADGLH-RVDMUPIBSA-N
Molecular Formula C17H30O2
Exact Mass 266.225 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-JP010162
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • ethyl (6E)-3,7,11-trimethyldodeca-6,10-dienoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12837067 PubChem
    J354.883J Nikkaji
    SCHEMBL12446352 SureChEMBL
    The data in this table is sourced from UniChem at EBI.