Dataset

3-CARBOETHOXY-6-ISOPROPYL-1-OXA-3,3A,4,5,6,7-HEXAHYDROAZULENE-2(1H),8(8AH)-DIONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011370 contains the MS mass spectrum of 3-CARBOETHOXY-6-ISOPROPYL-1-OXA-3,3A,4,5,6,7-HEXAHYDROAZULENE-2(1H),8(8AH)-DIONE with the InChIkey GOLXPQWCEJWVSR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H22O5/c1-4-19-14(17)12-10-6-5-9(8(2)3)7-11(16)13(10)20-15(12)18/h8-10,12-13H,4-7H2,1-3H3
SMILES CCOC(=O)C(C(=O)2)C(C1)C(O2)C(=O)CC(C(C)C)C1
InChI Key GOLXPQWCEJWVSR-UHFFFAOYSA-N
Molecular Formula C15H22O5
Exact Mass 282.147 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-JP011370
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • ethyl 2,8-dioxo-6-propan-2-yl-3a,4,5,6,7,8a-hexahydro-3H-cyclohepta[b]furan-3-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101635010 PubChem
    J504.927J Nikkaji
    The data in this table is sourced from UniChem at EBI.