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(4R)-2,2-Dimethyl-4-pentadecyl-1,3-dioxane-5-one

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

(4R)-2,2-Dimethyl-4-pentadecyl-1,3-dioxane-5-one
SpectraBase Compound ID EfODbRTFBAd
InChI InChI=1S/C21H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-19(22)18-23-21(2,3)24-20/h20H,4-18H2,1-3H3/t20-/m1/s1
InChIKey KFFDNQQMQAUFDK-HXUWFJFHSA-N
Mol Weight 340.5 g/mol
Molecular Formula C21H40O3
Exact Mass 340.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2KYBLqS4THn
Name (4R)-2,2-Dimethyl-4-pentadecyl-1,3-dioxane-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.297745145 u
Formula C21H40O3
InChI InChI=1S/C21H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-19(22)18-23-21(2,3)24-20/h20H,4-18H2,1-3H3/t20-/m1/s1
InChIKey KFFDNQQMQAUFDK-HXUWFJFHSA-N
Molecular Weight 340.548 g/mol
SMILES C1(O[C@@](C(CO1)=O)(CCCCCCCCCCCCCCC)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827684