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1-Benzylaziridin-2-ylmethyl 2-methylbutyrate
SpectraBase Compound ID DxfLSPUXZxl
InChI InChI=1S/C15H21NO2/c1-3-12(2)15(17)18-11-14-10-16(14)9-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKey LRHXFTXHIIOYKB-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7c5XB6zndam
Name 1-Benzylaziridin-2-ylmethyl 2-methylbutyrate
Appearance Light-yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-3-12(2)15(17)18-11-14-10-16(14)9-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKey LRHXFTXHIIOYKB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.902
Molecular Weight 247.338 g/mol
SMILES c1(ccccc1)CN1C(C1)COC(C(CC)C)=O
SPLASH splash10-052f-9100000000-d5b7c96d8db6b8378399
Sample Comments mixture of diastereomers (53:47)
Source of Spectrum ARK-2008-14-7d
Wiley ID 1869564