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(2'rs,3'sr)-Tert-butyl 2-(2'-benzoyl-3'-butylaziridin-1-yl)acetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2'rs,3'sr)-Tert-butyl 2-(2'-benzoyl-3'-butylaziridin-1-yl)acetate
SpectraBase Compound ID DNgjPhTfTb6
InChI InChI=1S/C19H27NO3/c1-5-6-12-15-17(18(22)14-10-8-7-9-11-14)20(15)13-16(21)23-19(2,3)4/h7-11,15,17H,5-6,12-13H2,1-4H3
InChIKey MFUMERLCIJIDGE-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 45ToDr2w9Hc
Name (2'rs,3'sr)-Tert-butyl 2-(2'-benzoyl-3'-butylaziridin-1-yl)acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.199093730 u
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-5-6-12-15-17(18(22)14-10-8-7-9-11-14)20(15)13-16(21)23-19(2,3)4/h7-11,15,17H,5-6,12-13H2,1-4H3
InChIKey MFUMERLCIJIDGE-UHFFFAOYSA-N
Molecular Weight 317.429 g/mol
SMILES C1(N(C1CCCC)CC(OC(C)(C)C)=O)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801047