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4-(3-acetyl-2,6-dihydroxy-phenyl)butan-2-one
SpectraBase Compound ID GFmfgtgI0ZJ
InChI InChI=1S/C12H14O4/c1-7(13)3-4-10-11(15)6-5-9(8(2)14)12(10)16/h5-6,15-16H,3-4H2,1-2H3
InChIKey SKOHNSUPELVIDR-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7dk19duFVH
Name 4-(3-acetyl-2,6-dihydroxy-phenyl)butan-2-one
Alternate Name(s) 4-(3-acetyl-2,6-dihydroxyphenyl)-2-butanone 4-[3-ethanoyl-2,6-bis(oxidanyl)phenyl]butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7(13)3-4-10-11(15)6-5-9(8(2)14)12(10)16/h5-6,15-16H,3-4H2,1-2H3
InChIKey SKOHNSUPELVIDR-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES Oc1c(c(ccc1C(=O)C)O)CCC(C)=O
SPLASH splash10-0006-9410000000-1c85a51eb807dd545f79
Source of Spectrum H1-55-2054-3
Wiley ID 1564663