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Glycine, N-isobutoxycarbonyl-, hexyl ester

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

Glycine, N-isobutoxycarbonyl-, hexyl ester
SpectraBase Compound ID GxDvRmuye2A
InChI InChI=1S/C13H25NO4/c1-4-5-6-7-8-17-12(15)9-14-13(16)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey KHMDTJUSRBKRAM-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C13H25NO4
Exact Mass 259.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1R13B1rFrMJ
Name Glycine, N-isobutoxycarbonyl-, hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.178358285 u
Formula C13H25NO4
InChI InChI=1S/C13H25NO4/c1-4-5-6-7-8-17-12(15)9-14-13(16)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey KHMDTJUSRBKRAM-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES CC(C)COC(NCC(OCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819932