Dataset

(2S)-N-TERT-BUTOXYCARBONYL-2-(4-(1-ETHOXYETHOXY)-1-HYDROXYBUTYL)PYRROLIDINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005511 contains the MS mass spectrum of (2S)-N-TERT-BUTOXYCARBONYL-2-(4-(1-ETHOXYETHOXY)-1-HYDROXYBUTYL)PYRROLIDINE with the InChIkey NQCFHFIQLPCLSG-SLTAFYQDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H33NO5/c1-6-21-13(2)22-12-8-10-15(19)14-9-7-11-18(14)16(20)23-17(3,4)5/h13-15,19H,6-12H2,1-5H3/t13?,14-,15?/m0/s1
SMILES CCOC(C)OCCCC(O)C([H])(C1)N(CC1)C(=O)OC(C)(C)C
InChI Key NQCFHFIQLPCLSG-SLTAFYQDSA-N
Molecular Formula C17H33NO5
Exact Mass 331.236 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-JP005511
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MetadataPublished 2016-01-19
Related Molecule
  • tert-butyl (2S)-2-[4-(1-ethoxyethoxy)-1-hydroxybutyl]pyrrolidine-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101323111 PubChem
    J187.466G Nikkaji
    The data in this table is sourced from UniChem at EBI.