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Isonipecotic acid, N-methacryloyl-, octadecyl ester

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

Isonipecotic acid, N-methacryloyl-, octadecyl ester
SpectraBase Compound ID GZcky5ityGP
InChI InChI=1S/C28H51NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-28(31)26-20-22-29(23-21-26)27(30)25(2)3/h26H,2,4-24H2,1,3H3
InChIKey VGMFRFLTRHMXFJ-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C28H51NO3
Exact Mass 449.386895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7f7e7J0EXtz
Name Isonipecotic acid, N-methacryloyl-, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.386894503 u
Formula C28H51NO3
InChI InChI=1S/C28H51NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-28(31)26-20-22-29(23-21-26)27(30)25(2)3/h26H,2,4-24H2,1,3H3
InChIKey VGMFRFLTRHMXFJ-UHFFFAOYSA-N
Molecular Weight 449.720 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C(=C)C)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877542