Dataset

(3R)-4-(TERT-BUTYLTHIO)-3-ETHOXYCARBONYLAMINO-2-BUTANONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002448 contains the MS mass spectrum of (3R)-4-(TERT-BUTYLTHIO)-3-ETHOXYCARBONYLAMINO-2-BUTANONE with the InChIkey BAGLPLXESBBWNF-VIFPVBQESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H21NO3S/c1-6-15-10(14)12-9(8(2)13)7-16-11(3,4)5/h9H,6-7H2,1-5H3,(H,12,14)/t9-/m0/s1
SMILES CCOC(=O)NC([H])(C(C)=O)CSC(C)(C)C
InChI Key BAGLPLXESBBWNF-VIFPVBQESA-N
Molecular Formula C11H21NO3S
Exact Mass 247.124 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-JP002448
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl N-[(2R)-1-tert-butylsulfanyl-3-oxobutan-2-yl]carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101618192 PubChem
    J45.754J Nikkaji
    The data in this table is sourced from UniChem at EBI.