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Butyric acid, 4-phenyl-, oct-3-en-2-yl ester

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

Butyric acid, 4-phenyl-, oct-3-en-2-yl ester
SpectraBase Compound ID K1fdoWjIWp3
InChI InChI=1S/C18H26O2/c1-3-4-5-7-11-16(2)20-18(19)15-10-14-17-12-8-6-9-13-17/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3/b11-7+
InChIKey PRMJJYPTAPQRAC-YRNVUSSQSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 39y7LelqkhJ
Name Butyric acid, 4-phenyl-, oct-3-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.193280075 u
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-3-4-5-7-11-16(2)20-18(19)15-10-14-17-12-8-6-9-13-17/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3/b11-7+
InChIKey PRMJJYPTAPQRAC-YRNVUSSQSA-N
Molecular Weight 274.404 g/mol
SMILES C(CCCC=1C=CC=CC1)(OC(\C=C\CCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937321