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3-(2,2-Dimethyl-propyl)-3-methyl-2,2-diphenyl-oxetane

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3-(2,2-Dimethyl-propyl)-3-methyl-2,2-diphenyl-oxetane
SpectraBase Compound ID JAoXELgevTH
InChI InChI=1S/C21H26O/c1-19(2,3)15-20(4)16-22-21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKey OTTBKAVCKNHYOQ-UHFFFAOYSA-N
Mol Weight 294.44 g/mol
Molecular Formula C21H26O
Exact Mass 294.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2jFRYnfkRFR
Name 3-(2,2-Dimethyl-propyl)-3-methyl-2,2-diphenyl-oxetane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.198365456 u
Formula C21H26O
InChI InChI=1S/C21H26O/c1-19(2,3)15-20(4)16-22-21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKey OTTBKAVCKNHYOQ-UHFFFAOYSA-N
SMILES C1=CC=CC(=C1)C1(OCC1(CC(C)(C)C)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930428