For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
tert-butyl 2-(methylthio)-4-oxo-4,5-dihydro-1H-imidazole-1-carboxylate
SpectraBase Compound ID CRIosVazrSI
InChI InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-5-6(12)10-7(11)15-4/h5H2,1-4H3
InChIKey XMMVAPQGWVBZPK-UHFFFAOYSA-N
Mol Weight 230.28 g/mol
Molecular Formula C9H14N2O3S
Exact Mass 230.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DJWQHe3DVTU
Name tert-butyl 2-(methylthio)-4-oxo-4,5-dihydro-1H-imidazole-1-carboxylate
Appearance Light beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2O3S
InChI InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-5-6(12)10-7(11)15-4/h5H2,1-4H3
InChIKey XMMVAPQGWVBZPK-UHFFFAOYSA-N
Ionization Type EI positive ion
Molecular Weight 230.282 g/mol
Reported Formula C9H14N2O3S
SMILES C1(=NC(CN1C(=O)OC(C)(C)C)=O)SC
SPLASH splash10-001i-0900000000-37b5ce5e7aae42a940ee
Source of Spectrum WO2014188193A1
Thin-Layer Chromatography Rf = 0.25 (EtOAc/hexane, 33%)
Wiley ID 1850177