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Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester

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

Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID D9zQYwRIxmm
InChI InChI=1S/C19H26O2/c1-4-5-13-18(15-16(2)3)21-19(20)14-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18H,4,9,12,14-15H2,1-3H3
InChIKey RBVDGQJDPPXOLD-UHFFFAOYSA-N
Mol Weight 286.41 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 39HFx4NO1kS
Name Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.193280075 u
Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-4-5-13-18(15-16(2)3)21-19(20)14-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18H,4,9,12,14-15H2,1-3H3
InChIKey RBVDGQJDPPXOLD-UHFFFAOYSA-N
Molecular Weight 286.415 g/mol
SMILES C(CCCC=1C=CC=CC1)(OC(CC(C)C)C#CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821983