Dataset

ETHYL 1,2,7-TRIMETHYL-4-NITROINDOLE-3-CARBOXYLATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004417 contains the MS mass spectrum of ETHYL 1,2,7-TRIMETHYL-4-NITROINDOLE-3-CARBOXYLATE with the InChIkey OTGJOVPKDZGPDA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16N2O4/c1-5-20-14(17)11-9(3)15(4)13-8(2)6-7-10(12(11)13)16(18)19/h6-7H,5H2,1-4H3
SMILES CCOC(=O)c(c(C)1)c(c([N+1]([O-1])=O)2)c(c(C)cc2)n(C)1
InChI Key OTGJOVPKDZGPDA-UHFFFAOYSA-N
Molecular Formula C14H16N2O4
Exact Mass 276.111 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-JP004417
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl 1,2,7-trimethyl-4-nitroindole-3-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6127069 eMolecules
    623899 PubChem
    ZINC000004685293 ZINC
    MCULE-1031576070 Mcule
    The data in this table is sourced from UniChem at EBI.