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Phenylacetaldehyde diisobutyl acetal

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

Phenylacetaldehyde diisobutyl acetal
SpectraBase Compound ID 6VB8CykiCw0
InChI InChI=1S/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKey IORFKGJOBOCHPX-UHFFFAOYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID II5PXwWl5ec
Name Phenylacetaldehyde diisobutyl acetal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.193280075 u
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKey IORFKGJOBOCHPX-UHFFFAOYSA-N
Molecular Weight 250.382 g/mol
SMILES CC(C)COC(CC1=CC=CC=C1)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966697