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Tert-butyl 3-ethyl-6,6-dimethyl-5-oxoheptanoate

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

Tert-butyl 3-ethyl-6,6-dimethyl-5-oxoheptanoate
SpectraBase Compound ID K2RZ8t5Dznk
InChI InChI=1S/C15H28O3/c1-8-11(9-12(16)14(2,3)4)10-13(17)18-15(5,6)7/h11H,8-10H2,1-7H3
InChIKey PLSRMAKBXCBELR-UHFFFAOYSA-N
Mol Weight 256.39 g/mol
Molecular Formula C15H28O3
Exact Mass 256.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4H0hRKaY2JR
Name Tert-butyl 3-ethyl-6,6-dimethyl-5-oxoheptanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.203844759 u
Formula C15H28O3
InChI InChI=1S/C15H28O3/c1-8-11(9-12(16)14(2,3)4)10-13(17)18-15(5,6)7/h11H,8-10H2,1-7H3
InChIKey PLSRMAKBXCBELR-UHFFFAOYSA-N
Molecular Weight 256.386 g/mol
SMILES C(CC(CC(C(C)(C)C)=O)CC)(=O)OC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925383