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Butyric acid, 4-phenyl-, pentyl ester

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Butyric acid, 4-phenyl-, pentyl ester
SpectraBase Compound ID 51ptXl6ZNPx
InChI InChI=1S/C15H22O2/c1-2-3-7-13-17-15(16)12-8-11-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey ZHTGUNVTDPBJLC-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 3kmtMezgxjE
Name Butyric acid, 4-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/c1-2-3-7-13-17-15(16)12-8-11-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKey ZHTGUNVTDPBJLC-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891992