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Hexanal benzyl ethyl acetal

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Hexanal benzyl ethyl acetal
SpectraBase Compound ID IidgTQk64CF
InChI InChI=1S/C15H24O2/c1-3-5-7-12-15(16-4-2)17-13-14-10-8-6-9-11-14/h6,8-11,15H,3-5,7,12-13H2,1-2H3
InChIKey ZESDQEHIQRRQEU-UHFFFAOYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9SPQAg9dx9g
Name Hexanal benzyl ethyl acetal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.177630011 u
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-3-5-7-12-15(16-4-2)17-13-14-10-8-6-9-11-14/h6,8-11,15H,3-5,7,12-13H2,1-2H3
InChIKey ZESDQEHIQRRQEU-UHFFFAOYSA-N
Molecular Weight 236.355 g/mol
SMILES C(CCCCC)(OCC)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853323