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L-3-Aminoisobutyric acid, N-(N-propyloxycarbonyl)-, methyl ester

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

L-3-Aminoisobutyric acid, N-(N-propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID BFuWLdYVWIM
InChI InChI=1S/C9H17NO4/c1-4-5-14-9(12)10-6-7(2)8(11)13-3/h7H,4-6H2,1-3H3,(H,10,12)/t7-/m1/s1
InChIKey VEEDBMHNHBYWMI-SSDOTTSWSA-N
Mol Weight 203.24 g/mol
Molecular Formula C9H17NO4
Exact Mass 203.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7IbY4aGGAF8
Name L-3-Aminoisobutyric acid, N-(N-propyloxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.115758027 u
Formula C9H17NO4
InChI InChI=1S/C9H17NO4/c1-4-5-14-9(12)10-6-7(2)8(11)13-3/h7H,4-6H2,1-3H3,(H,10,12)/t7-/m1/s1
InChIKey VEEDBMHNHBYWMI-SSDOTTSWSA-N
Molecular Weight 203.238 g/mol
SMILES C(NC(OCCC)=O)[C@@](C)(C(OC)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96089