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Benzyl (2S,3S)-3-methyl-2-aziridinecarboxylate

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Benzyl (2S,3S)-3-methyl-2-aziridinecarboxylate
SpectraBase Compound ID JuWoVfMawUS
InChI InChI=1S/C11H13NO2/c1-8-10(12-8)11(13)14-7-9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3/t8-,10-/m0/s1
InChIKey SYSRYSURXKVISG-WPRPVWTQSA-N
Mol Weight 191.23 g/mol
Molecular Formula C11H13NO2
Exact Mass 191.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7zd4QYFZvhV
Name Benzyl (2S,3S)-3-methyl-2-aziridinecarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 191.094628661 u
Formula C11H13NO2
InChI InChI=1S/C11H13NO2/c1-8-10(12-8)11(13)14-7-9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3/t8-,10-/m0/s1
InChIKey SYSRYSURXKVISG-WPRPVWTQSA-N
Molecular Weight 191.230 g/mol
SMILES [C@]1(N[C@]1(C)[H])(C(OCC=1C=CC=CC1)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932042