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Cyclohexanone, 2-[3-(acetyloxy)-1-methylpropyl]-5-methyl-
SpectraBase Compound ID K6OFy2VGLpP
InChI InChI=1S/C13H22O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h9-10,12H,4-8H2,1-3H3
InChIKey BFBQXRPYXKVBNE-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Kh3JNI6c6f
Name Cyclohexanone, 2-[3-(acetyloxy)-1-methylpropyl]-5-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h9-10,12H,4-8H2,1-3H3
InChIKey BFBQXRPYXKVBNE-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C1(C(CCC(C1)C)C(CCOC(=O)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949532