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Pipecolic acid, N-isobutoxycarbonyl-, pentadecyl ester

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

Pipecolic acid, N-isobutoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 6Y7NyHZd9o7
InChI InChI=1S/C26H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25(28)24-19-16-17-20-27(24)26(29)31-22-23(2)3/h23-24H,4-22H2,1-3H3
InChIKey SSWXSKARGMNNPG-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A0tlo2fK9fv
Name Pipecolic acid, N-isobutoxycarbonyl-, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25(28)24-19-16-17-20-27(24)26(29)31-22-23(2)3/h23-24H,4-22H2,1-3H3
InChIKey SSWXSKARGMNNPG-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCCCCCCCC)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902699