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Octadecyl 3-phenylacrylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Octadecyl 3-phenylacrylate
SpectraBase Compound ID 9NvvQ7mDByK
InChI InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-29-27(28)24-23-26-21-18-17-19-22-26/h17-19,21-24H,2-16,20,25H2,1H3/b24-23+
InChIKey FOMPJQRYRSPXOW-WCWDXBQESA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JEWyQhqJU1t
Name Octadecyl 3-phenylacrylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.334130655 u
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-29-27(28)24-23-26-21-18-17-19-22-26/h17-19,21-24H,2-16,20,25H2,1H3/b24-23+
InChIKey FOMPJQRYRSPXOW-WCWDXBQESA-N
Molecular Weight 400.647 g/mol
SMILES C(\C=C\C=1C=CC=CC1)(=O)OCCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936589