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Diacetone alcohol
SpectraBase Compound ID EewLZs4mM4K
InChI InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey SWXVUIWOUIDPGS-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vyopgHJcOr
Name 2-PENTANONE, 5,5,5-TRIDEUTERO-4-HYDROXY-4-(TRIDEUTEROMETHYL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6D6O2
InChI InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey SWXVUIWOUIDPGS-UHFFFAOYSA-N
Instrument Name CH7
Molecular Weight 116.0834
SMILES OC(C)(C)CC(=O)C
SPLASH splash10-0007-9000000000-4b02910d3fb53926079f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany