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Butyric acid, 4-phenyl-, dodecyl ester

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Butyric acid, 4-phenyl-, dodecyl ester
SpectraBase Compound ID HQqrs3ZHbsm
InChI InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-14-20-24-22(23)19-15-18-21-16-12-11-13-17-21/h11-13,16-17H,2-10,14-15,18-20H2,1H3
InChIKey YJLODNCCNAKLHX-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7iIDtbH4sQP
Name Butyric acid, 4-phenyl-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.271530397 u
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-14-20-24-22(23)19-15-18-21-16-12-11-13-17-21/h11-13,16-17H,2-10,14-15,18-20H2,1H3
InChIKey YJLODNCCNAKLHX-UHFFFAOYSA-N
Molecular Weight 332.528 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969463