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Glycine, N-isobutoxycarbonyl-, pentyl ester

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

Glycine, N-isobutoxycarbonyl-, pentyl ester
SpectraBase Compound ID JQEA7fR5P0N
InChI InChI=1S/C12H23NO4/c1-4-5-6-7-16-11(14)8-13-12(15)17-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey CPOFTJWTQTYTRR-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E3STAtSA9Hx
Name Glycine, N-isobutoxycarbonyl-, pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.162708221 u
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-4-5-6-7-16-11(14)8-13-12(15)17-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey CPOFTJWTQTYTRR-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CC(C)COC(NCC(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954977