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Isonipecotic acid, N-acryloyl-, octadecyl ester

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

Isonipecotic acid, N-acryloyl-, octadecyl ester
SpectraBase Compound ID AxZ2vhdlZeb
InChI InChI=1S/C27H49NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31-27(30)25-20-22-28(23-21-25)26(29)4-2/h4,25H,2-3,5-24H2,1H3
InChIKey VRRHNKZPNMPLGR-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C27H49NO3
Exact Mass 435.371244 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1xn4PGmpwhA
Name Isonipecotic acid, N-acryloyl-, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.371244439 u
Formula C27H49NO3
InChI InChI=1S/C27H49NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31-27(30)25-20-22-28(23-21-25)26(29)4-2/h4,25H,2-3,5-24H2,1H3
InChIKey VRRHNKZPNMPLGR-UHFFFAOYSA-N
Molecular Weight 435.693 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C=C)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948072