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Butyric acid, 2-phenyl-, heptadecyl ester

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

Butyric acid, 2-phenyl-, heptadecyl ester
SpectraBase Compound ID 7KKp2j85bj1
InChI InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29-27(28)26(4-2)25-22-19-18-20-23-25/h18-20,22-23,26H,3-17,21,24H2,1-2H3
InChIKey NPIDHRRXJVVTOS-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LX9XR2K7BAl
Name Butyric acid, 2-phenyl-, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.349780719 u
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29-27(28)26(4-2)25-22-19-18-20-23-25/h18-20,22-23,26H,3-17,21,24H2,1-2H3
InChIKey NPIDHRRXJVVTOS-UHFFFAOYSA-N
Molecular Weight 402.663 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCC)=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949198