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4-(Cetyloxymethyl)-2,2-dimethyl-1,3-dioxolane

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

4-(Cetyloxymethyl)-2,2-dimethyl-1,3-dioxolane
SpectraBase Compound ID JNEaaDABMEC
InChI InChI=1S/C22H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-20-24-22(2,3)25-21/h21H,4-20H2,1-3H3
InChIKey UTWIZAKJNBGOCZ-UHFFFAOYSA-N
Mol Weight 356.6 g/mol
Molecular Formula C22H44O3
Exact Mass 356.329045 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5gS87OTq59J
Name 4-(Cetyloxymethyl)-2,2-dimethyl-1,3-dioxolane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.329045274 u
Formula C22H44O3
InChI InChI=1S/C22H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-20-24-22(2,3)25-21/h21H,4-20H2,1-3H3
InChIKey UTWIZAKJNBGOCZ-UHFFFAOYSA-N
Molecular Weight 356.591 g/mol
SMILES C1(OC(COCCCCCCCCCCCCCCCC)CO1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897838