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Heptane-2,6-dione, 3,5-diacetyl-4-methyl-

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

Heptane-2,6-dione, 3,5-diacetyl-4-methyl-
SpectraBase Compound ID BZVjxw5dLK5
InChI InChI=1S/C12H18O4/c1-6(11(7(2)13)8(3)14)12(9(4)15)10(5)16/h6,11-12H,1-5H3
InChIKey NEKDTSWEDCUIJB-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8j2RFKod4R0
Name Heptane-2,6-dione, 3,5-diacetyl-4-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.120509056 u
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-6(11(7(2)13)8(3)14)12(9(4)15)10(5)16/h6,11-12H,1-5H3
InChIKey NEKDTSWEDCUIJB-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C(C(C(=O)C)C(=O)C)(C(C(=O)C)C(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986386