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2-Butanone, 3,3-bis(hydroxymethyl)-
SpectraBase Compound ID LnCfSmmsVG9
InChI InChI=1S/C6H12O3/c1-5(9)6(2,3-7)4-8/h7-8H,3-4H2,1-2H3
InChIKey CITZTYCVNHPCQL-UHFFFAOYSA-N
Mol Weight 132.16 g/mol
Molecular Formula C6H12O3
Exact Mass 132.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCJshBfCGMg
Name 2-Butanone, 4-hydroxy-3-(hydroxymethyl)-3-methyl-
CAS Registry Number 6868-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O3
InChI InChI=1S/C6H12O3/c1-5(9)6(2,3-7)4-8/h7-8H,3-4H2,1-2H3
InChIKey CITZTYCVNHPCQL-UHFFFAOYSA-N
Molecular Weight 132.159 g/mol
SMILES OCC(CO)(C(C)=O)C
SPLASH splash10-0006-9000000000-108c8c23e286b023b428
Source of Spectrum JX-2015-6-1280
Synonyms 4-Hydroxy-3-(hydroxymethyl)-3-methyl-2-butanone 3,3-Bis(hydroxymethyl)-2-butanone 2-Butanone, 3,3-bis(hydroxymethyl)- 3-(hydroxymethyl)-3-methyl-4-oxidanyl-butan-2-one 4-Hydroxy-3-(hydroxymethyl)-3-methyl-butan-2-one 4-Hydroxy-3-methyl-3-methylol-butan-2-one 4-Hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one
Wiley ID 1728003