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4-(Ethoxycarbonyl)-5-acetoxy-3-methylcyclohex-3-en-1-one
SpectraBase Compound ID Ffeh28fWvDP
InChI InChI=1S/C12H16O5/c1-4-16-12(15)11-7(2)5-9(14)6-10(11)17-8(3)13/h10H,4-6H2,1-3H3
InChIKey XHQWICLOBVNNPF-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hv5j59I1aV1
Name 4-(Ethoxycarbonyl)-5-acetoxy-3-methylcyclohex-3-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-4-16-12(15)11-7(2)5-9(14)6-10(11)17-8(3)13/h10H,4-6H2,1-3H3
InChIKey XHQWICLOBVNNPF-UHFFFAOYSA-N
Molecular Weight 240.255 g/mol
SMILES C1(CC(=C(C(C1)OC(=O)C)C(=O)OCC)C)=O
SPLASH splash10-004j-0910000000-98b255c05879d904c61a
Source of Spectrum Y4-83-49-9
Synonyms Ethyl 6-(acetyloxy)-2-methyl-4-oxo-1-cyclohexene-1-carboxylate
Wiley ID 1549959