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Octadecyl 3-(4'-hydroxyphenyl)propanoate

View entire compound with spectra: 1 FTIR, and 5 MS (GC)

Octadecyl 3-(4'-hydroxyphenyl)propanoate
SpectraBase Compound ID 7I967ulU4X9
InChI InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-27(29)23-20-25-18-21-26(28)22-19-25/h18-19,21-22,28H,2-17,20,23-24H2,1H3
InChIKey OBYWBISWWBUSET-UHFFFAOYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AJoqEQB4sls
Name Octadecyl 3-(4'-hydroxyphenyl)propanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.344695338 u
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-27(29)23-20-25-18-21-26(28)22-19-25/h18-19,21-22,28H,2-17,20,23-24H2,1H3
InChIKey OBYWBISWWBUSET-UHFFFAOYSA-N
Molecular Weight 418.662 g/mol
SMILES C1=C(C=CC(=C1)O)CCC(OCCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931191