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1-[(4R,5R)-2,2-Dimethyl-5-(2,2-dimethylpropanoyl)-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one
SpectraBase Compound ID L5BeF3V1b6p
InChI InChI=1S/C15H26O4/c1-13(2,3)11(16)9-10(12(17)14(4,5)6)19-15(7,8)18-9/h9-10H,1-8H3/t9-,10-/m1/s1
InChIKey CAVZFHGIIOVPPL-NXEZZACHSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6apJcHUPbkw
Name 1-[(4R,5R)-2,2-Dimethyl-5-(2,2-dimethylpropanoyl)-1,3-dioxolan-4-yl]-2,2-dimethylpropan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-13(2,3)11(16)9-10(12(17)14(4,5)6)19-15(7,8)18-9/h9-10H,1-8H3/t9-,10-/m1/s1
InChIKey CAVZFHGIIOVPPL-NXEZZACHSA-N
Molecular Weight 270.369 g/mol
SMILES C(C(C)(C)C)(=O)[C@@]1(OC(O[C@]1(C(C(C)(C)C)=O)[H])(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886314