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Tert-leucine, N-(2-chloroethoxycarbonyl)-, isobutyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Tert-leucine, N-(2-chloroethoxycarbonyl)-, isobutyl ester
SpectraBase Compound ID 2igH7hkpTZ1
InChI InChI=1S/C13H24ClNO4/c1-9(2)8-19-11(16)10(13(3,4)5)15-12(17)18-7-6-14/h9-10H,6-8H2,1-5H3,(H,15,17)
InChIKey QUDJKNUGSAIQSX-UHFFFAOYSA-N
Mol Weight 293.79 g/mol
Molecular Formula C13H24ClNO4
Exact Mass 293.139386 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FcWAa7eUTFP
Name Tert-leucine, N-(2-chloroethoxycarbonyl)-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.139385953 u
Formula C13H24ClNO4
InChI InChI=1S/C13H24ClNO4/c1-9(2)8-19-11(16)10(13(3,4)5)15-12(17)18-7-6-14/h9-10H,6-8H2,1-5H3,(H,15,17)
InChIKey QUDJKNUGSAIQSX-UHFFFAOYSA-N
Molecular Weight 293.791 g/mol
SMILES C(NC(OCCCl)=O)(C(=O)OCC(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864557