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Butyric acid, 2-phenyl-, pentyl ester

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Butyric acid, 2-phenyl-, pentyl ester
SpectraBase Compound ID 8QLnch7I0qn
InChI InChI=1S/C15H22O2/c1-3-5-9-12-17-15(16)14(4-2)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3
InChIKey PDLMYOAIOPIQLF-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FfHdRqJczmd
Name Butyric acid, 2-phenyl-, pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-3-5-9-12-17-15(16)14(4-2)13-10-7-6-8-11-13/h6-8,10-11,14H,3-5,9,12H2,1-2H3
InChIKey PDLMYOAIOPIQLF-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(C(C(OCCCCC)=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962188