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2-Acetoxy-3,3-dimethyl-2-(3-oxo-but-1-enyl)-cyclobutanecarboxylic acid, methyl ester
SpectraBase Compound ID KQ86vxAnUVF
InChI InChI=1S/C14H20O5/c1-9(15)6-7-14(19-10(2)16)11(12(17)18-5)8-13(14,3)4/h6-7,11H,8H2,1-5H3/b7-6+
InChIKey SMTIHXGASZGXAT-VOTSOKGWSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sDbjivGaM9
Name 2-Acetoxy-3,3-dimethyl-2-(3-oxo-but-1-enyl)-cyclobutanecarboxylic acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-9(15)6-7-14(19-10(2)16)11(12(17)18-5)8-13(14,3)4/h6-7,11H,8H2,1-5H3/b7-6+
InChIKey SMTIHXGASZGXAT-VOTSOKGWSA-N
Molecular Weight 268.309 g/mol
SMILES C(=O)(OC1(\C=C\C(C)=O)C(CC1(C)C)C(=O)OC)C
SPLASH splash10-0006-8900000000-8f5c498e4bb8af41089e
Synonyms 2-Acetoxy-2-[(E)-3-ketobut-1-enyl]-3,3-dimethyl-cyclobutanecarboxylic acid methyl ester 2-Acetyloxy-3,3-dimethyl-2-[(E)-3-oxobut-1-enyl]-1-cyclobutanecarboxylic acid methyl ester Methyl 2-(acetyloxy)-3,3-dimethyl-2-[(1E)-3-oxo-1-butenyl]cyclobutanecarboxylate Methyl 2-acetoxy-3,3-dimethyl-2-[(E)-3-oxobut-1-enyl]cyclobutanecarboxylate Methyl 2-acetyloxy-3,3-dimethyl-2-[(E)-3-oxidanylidenebut-1-enyl]cyclobutane-1-carboxylate Methyl 2-acetyloxy-3,3-dimethyl-2-[(E)-3-oxobut-1-enyl]cyclobutane-1-carboxylate
Wiley ID 1484396