Dataset

1,1-DIMETHYLINDAN-4-CARBOXYLIC ACID ETHYLESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005259 contains the MS mass spectrum of 1,1-DIMETHYLINDAN-4-CARBOXYLIC ACID ETHYLESTER with the InChIkey JAWKNTBIAIQVDD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H18O2/c1-4-16-13(15)11-6-5-7-12-10(11)8-9-14(12,2)3/h5-7H,4,8-9H2,1-3H3
SMILES CCOC(=O)c(c2)c(C1)c(cc2)C(C)(C)C1
InChI Key JAWKNTBIAIQVDD-UHFFFAOYSA-N
Molecular Formula C14H18O2
Exact Mass 218.131 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-JP005259
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl 1,1-dimethyl-2,3-dihydroindene-4-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    41480 PubChem
    55591-12-3 ACToR
    J130.724J Nikkaji
    DTXSID50204137 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.