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Pipecolic acid, N-butoxycarbonyl-, hexadecyl ester

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

Pipecolic acid, N-butoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID IQnts8B8Hvc
InChI InChI=1S/C27H51NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-31-26(29)25-21-18-19-22-28(25)27(30)32-23-6-4-2/h25H,3-24H2,1-2H3
InChIKey BOYYLIGQUHHPLC-UHFFFAOYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C27H51NO4
Exact Mass 453.381809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ZYUldN2aWQ
Name Pipecolic acid, N-butoxycarbonyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.381809122 u
Formula C27H51NO4
InChI InChI=1S/C27H51NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-31-26(29)25-21-18-19-22-28(25)27(30)32-23-6-4-2/h25H,3-24H2,1-2H3
InChIKey BOYYLIGQUHHPLC-UHFFFAOYSA-N
Molecular Weight 453.708 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCCCCCCCCC)=O)C(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910329