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(S)-4-(n-Butyl)-2,2-dimethyl-1,3-dioxne-5-one

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

(S)-4-(n-Butyl)-2,2-dimethyl-1,3-dioxne-5-one
SpectraBase Compound ID LEcFvnNwPl
InChI InChI=1S/C10H18O3/c1-4-5-6-9-8(11)7-12-10(2,3)13-9/h9H,4-7H2,1-3H3/t9-/m0/s1
InChIKey QFGURDPCRYYSEB-VIFPVBQESA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FWN3jKl7dUP
Name (S)-4-(N-Butyl)-2,2-dimethyl-1,3-dioxne-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.125594437 u
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-4-5-6-9-8(11)7-12-10(2,3)13-9/h9H,4-7H2,1-3H3/t9-/m0/s1
InChIKey QFGURDPCRYYSEB-VIFPVBQESA-N
Molecular Weight 186.251 g/mol
SMILES C1(O[C@](C(CO1)=O)(CCCC)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964776