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Glycine, N-isobutoxycarbonyl-, hexadecyl ester

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

Glycine, N-isobutoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID FlWMtQZGnNf
InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-22(25)19-24-23(26)28-20-21(2)3/h21H,4-20H2,1-3H3,(H,24,26)
InChIKey JYGILQWBSUNODN-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C23H45NO4
Exact Mass 399.334859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7GZpToMUTdH
Name Glycine, N-isobutoxycarbonyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.334858929 u
Formula C23H45NO4
InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-22(25)19-24-23(26)28-20-21(2)3/h21H,4-20H2,1-3H3,(H,24,26)
InChIKey JYGILQWBSUNODN-UHFFFAOYSA-N
Molecular Weight 399.616 g/mol
SMILES CC(C)COC(NCC(OCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841145