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Isonipecotic acid, N-methacryloyl-, heptadecyl ester

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

Isonipecotic acid, N-methacryloyl-, heptadecyl ester
SpectraBase Compound ID J0auGIHDSxs
InChI InChI=1S/C27H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-27(30)25-19-21-28(22-20-25)26(29)24(2)3/h25H,2,4-23H2,1,3H3
InChIKey FHQGAFIKQXFVHU-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 H9VJh3Bl1N1
Name Isonipecotic acid, N-methacryloyl-, heptadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-27(30)25-19-21-28(22-20-25)26(29)24(2)3/h25H,2,4-23H2,1,3H3
InChIKey FHQGAFIKQXFVHU-UHFFFAOYSA-N
Molecular Weight 435.693 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C(=C)C)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8634