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Benzoic acid, dec-2-yl ester

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

Benzoic acid, dec-2-yl ester
SpectraBase Compound ID 3JPUz0UI8li
InChI InChI=1S/C17H26O2/c1-3-4-5-6-7-9-12-15(2)19-17(18)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
InChIKey WPQGCBLKSNYZOU-UHFFFAOYSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GCywZWhyJBp
Name Benzoic acid, dec-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-3-4-5-6-7-9-12-15(2)19-17(18)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
InChIKey WPQGCBLKSNYZOU-UHFFFAOYSA-N
Molecular Weight 262.393 g/mol
SMILES C1=C(C=CC=C1)C(=O)OC(C)CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905635