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L-Prolylglycine, N-butoxycarbonyl-, butyl ester

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

L-Prolylglycine, N-butoxycarbonyl-, butyl ester
SpectraBase Compound ID J8j57h21yHP
InChI InChI=1S/C16H28N2O5/c1-3-5-10-22-14(19)12-17-15(20)13-8-7-9-18(13)16(21)23-11-6-4-2/h13H,3-12H2,1-2H3,(H,17,20)
InChIKey AYHXQWRVNCZKMD-UHFFFAOYSA-N
Mol Weight 328.41 g/mol
Molecular Formula C16H28N2O5
Exact Mass 328.199822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5cyXaywyhkG
Name L-Prolylglycine, N-butoxycarbonyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.199822005 u
Formula C16H28N2O5
InChI InChI=1S/C16H28N2O5/c1-3-5-10-22-14(19)12-17-15(20)13-8-7-9-18(13)16(21)23-11-6-4-2/h13H,3-12H2,1-2H3,(H,17,20)
InChIKey AYHXQWRVNCZKMD-UHFFFAOYSA-N
Molecular Weight 328.409 g/mol
SMILES CCCCOC(=O)N1CCCC1C(=O)NCC(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875295