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Butyric acid, 4-phenyl-, hexadecyl ester

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

Butyric acid, 4-phenyl-, hexadecyl ester
SpectraBase Compound ID D8c2iSJBemO
InChI InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-28-26(27)23-19-22-25-20-16-15-17-21-25/h15-17,20-21H,2-14,18-19,22-24H2,1H3
InChIKey SIDYMXXEJWQZKY-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C26H44O2
Exact Mass 388.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AjiYGSSspQu
Name Butyric acid, 4-phenyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.334130655 u
Formula C26H44O2
InChI InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-28-26(27)23-19-22-25-20-16-15-17-21-25/h15-17,20-21H,2-14,18-19,22-24H2,1H3
InChIKey SIDYMXXEJWQZKY-UHFFFAOYSA-N
Molecular Weight 388.636 g/mol
SMILES C(CCCC=1C=CC=CC1)(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955557