Dataset

DIMETHYL TRANS-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010238 contains the MS mass spectrum of DIMETHYL TRANS-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE with the InChIkey RPLFDITWLLPMSI-NXEZZACHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16O5/c1-17-12(15)9-5-7-3-4-11(14)8(7)6-10(9)13(16)18-2/h9-10H,3-6H2,1-2H3/t9-,10-/m1/s1
SMILES COC(=O)C([H])(C1)C([H])(C(=O)OC)CC(C(=O)2)=C(CC2)1
InChI Key RPLFDITWLLPMSI-NXEZZACHSA-N
Molecular Formula C13H16O5
Exact Mass 252.100 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-JP010238
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MetadataPublished 2016-01-19
Related Molecule
  • dimethyl (5R,6R)-3-oxo-1,2,4,5,6,7-hexahydroindene-5,6-dicarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13761178 PubChem
    J414.279I Nikkaji
    The data in this table is sourced from UniChem at EBI.