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

View entire compound with spectra: 1 FTIR

Tert-leucine, N-(2-chloroethoxycarbonyl)-, propyl ester
SpectraBase Compound ID 8ZOEr2kVfT7
InChI InChI=1S/C12H22ClNO4/c1-5-7-17-10(15)9(12(2,3)4)14-11(16)18-8-6-13/h9H,5-8H2,1-4H3,(H,14,16)
InChIKey UBRZXBVXPAITSG-UHFFFAOYSA-N
Mol Weight 279.76 g/mol
Molecular Formula C12H22ClNO4
Exact Mass 279.123736 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7wNo0wmrPPw
Name Tert-leucine, N-(2-chloroethoxycarbonyl)-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.123735888 u
Formula C12H22ClNO4
InChI InChI=1S/C12H22ClNO4/c1-5-7-17-10(15)9(12(2,3)4)14-11(16)18-8-6-13/h9H,5-8H2,1-4H3,(H,14,16)
InChIKey UBRZXBVXPAITSG-UHFFFAOYSA-N
SMILES C(COC(C(NC(OCCCl)=O)C(C)(C)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956864