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4-Isobutyl-3-(2-methylbenzyl)-oxetan-2-one

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

4-Isobutyl-3-(2-methylbenzyl)-oxetan-2-one
SpectraBase Compound ID ApFcI0aI561
InChI InChI=1S/C15H20O2/c1-10(2)8-14-13(15(16)17-14)9-12-7-5-4-6-11(12)3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKey IBBHYVNUPFQCOD-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HBjUx7AjncS
Name 4-Isobutyl-3-(2-methylbenzyl)-oxetan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-10(2)8-14-13(15(16)17-14)9-12-7-5-4-6-11(12)3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKey IBBHYVNUPFQCOD-UHFFFAOYSA-N
Molecular Weight 232.323 g/mol
SMILES C1(C(=O)OC1CC(C)C)CC=1C(C)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872234