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3,5-Heptanedione, 2,2,6,6-tetramethyl-

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3,5-Heptanedione, 2,2,6,6-tetramethyl-
SpectraBase Compound ID EQk26KDHDgC
InChI InChI=1S/C11H22O2.C11H20O2/c2*1-10(2,3)8(12)7-9(13)11(4,5)6/h8,12H,7H2,1-6H3;7H2,1-6H3
InChIKey WMNJOSNCYNYRIX-UHFFFAOYSA-N
Mol Weight 370.57 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FjmFXDJsaQ3
Name 3,5-Heptanedione, 2,2,6,6-tetramethyl-,
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.308309828 u
Formula C22H42O4
InChI InChI=1S/C11H22O2.C11H20O2/c2*1-10(2,3)8(12)7-9(13)11(4,5)6/h8,12H,7H2,1-6H3;7H2,1-6H3
InChIKey WMNJOSNCYNYRIX-UHFFFAOYSA-N
Molecular Weight 370.574 g/mol
Nominal Mass 370 u
SMILES CC(C(CC(C(C)(C)C)=O)=O)(C)C.CC(C)(C(CC(C(C)(C)C)O)=O)C
Spectrum/Structure Validation Score (Raman) 0.977159