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Methyl (2S)-4-bromo-2-(tert-butoxycarbonylamino)butanoate

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

Methyl (2S)-4-bromo-2-(tert-butoxycarbonylamino)butanoate
SpectraBase Compound ID 6WgseAnHBxe
InChI InChI=1S/C10H18BrNO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKey MBWPBNACYMMIKZ-ZETCQYMHSA-N
Mol Weight 296.16 g/mol
Molecular Formula C10H18BrNO4
Exact Mass 295.041921 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID oD9Wgls0HD
Name Methyl (2S)-4-bromo-2-[(tert-butoxycarbonyl)amino]butanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.041921060 u
Formula C10H18BrNO4
InChI InChI=1S/C10H18BrNO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKey MBWPBNACYMMIKZ-ZETCQYMHSA-N
Molecular Weight 296.161 g/mol
SMILES C(N[C@](C(=O)OC)(CCBr)[H])(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922002