Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C31H31N3O3/c1-3-37-31(35)30-17-20(25-18-32-27-10-6-4-8-23(25)27)16-29(26-19-33-28-11-7-5-9-24(26)28)34(30)21-12-14-22(36-2)15-13-21/h4-15,18-20,29-30,32-33H,3,16-17H2,1-2H3/t20-,29-,30-/m0/s1
SMILES CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1ccc(cc1)OC)c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
InChI Key LVFHUNXXGDPDOD-UWJPRHDFSA-N
Molecular Formula C31H31N3O3
Exact Mass 493.596 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LVFHUNXXGDPDOD-UWJPRHDFSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/LVFHUNXXGDPDOD-UWJPRHDFSA-N/Mass/EI
Version
Author Sabilla Zhong
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl (2S,4S,6S)-4,6-bis(1H-indol-3-yl)-1-(4-methoxyphenyl)piperidine-2-carboxylate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427460 PubChem
    The data in this table is sourced from UniChem at EBI.