Dataset

METHYL 5-ETHYL-3-METHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE (3,4-TRANS-4,5-CIS); EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010287 contains the MS mass spectrum of METHYL 5-ETHYL-3-METHYL-2-PHENYL-1-PYRROLINE-4-CARBOXYLATE (3,4-TRANS-4,5-CIS) with the InChIkey XWJJRAGNCUIQPA-RAIGVLPGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H19NO2/c1-4-12-13(15(17)18-3)10(2)14(16-12)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t10-,12-,13-/m1/s1
SMILES COC(=O)C(C(CC)2)C(C)C(=N2)c(c1)cccc1
InChI Key XWJJRAGNCUIQPA-RAIGVLPGSA-N
Molecular Formula C15H19NO2
Exact Mass 245.142 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-JP010287
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MetadataPublished 2016-01-19
Related Molecule
  • methyl (2R,3R,4R)-2-ethyl-4-methyl-5-phenyl-3,4-dihydro-2H-pyrrole-3-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13896667 PubChem
    J414.234I Nikkaji
    The data in this table is sourced from UniChem at EBI.