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Isonipecotic acid, N-acryloyl-, hexadecyl ester

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

Isonipecotic acid, N-acryloyl-, hexadecyl ester
SpectraBase Compound ID BhwBpppvDFk
InChI InChI=1S/C25H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-25(28)23-18-20-26(21-19-23)24(27)4-2/h4,23H,2-3,5-22H2,1H3
InChIKey QJMQPLLROULEBC-UHFFFAOYSA-N
Mol Weight 407.6 g/mol
Molecular Formula C25H45NO3
Exact Mass 407.339944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JQwdbFIaMbP
Name Isonipecotic acid, N-acryloyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.339944310 u
Formula C25H45NO3
InChI InChI=1S/C25H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-25(28)23-18-20-26(21-19-23)24(27)4-2/h4,23H,2-3,5-22H2,1H3
InChIKey QJMQPLLROULEBC-UHFFFAOYSA-N
Molecular Weight 407.639 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C=C)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952756