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1-Buten-3-one, 1-(2-carboxyl-4,4-dimethylcyclobutenyl)-
SpectraBase Compound ID 2inzv4NsQJU
InChI InChI=1S/C11H14O3/c1-7(12)4-5-9-8(10(13)14)6-11(9,2)3/h4-5H,6H2,1-3H3,(H,13,14)/b5-4+
InChIKey JFOLPIPBTDOSEZ-SNAWJCMRSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbtP6ENGFCA
Name 1-Buten-3-one, 1-(2-carboxyl-4,4-dimethylcyclobutenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-7(12)4-5-9-8(10(13)14)6-11(9,2)3/h4-5H,6H2,1-3H3,(H,13,14)/b5-4+
InChIKey JFOLPIPBTDOSEZ-SNAWJCMRSA-N
Molecular Weight 194.230 g/mol
SMILES OC(C=1CC(C1\C=C\C(=O)C)(C)C)=O
SPLASH splash10-0f96-8900000000-ecf2ab5a678270510372
Source of Spectrum CM-1999-10857-0
Synonyms 1-Buten-3-one, 1-(2-carboxy-4,4-dimethylcyclobutenyl)- 2-[(E)-3-ketobut-1-enyl]-3,3-dimethyl-cyclobutene-1-carboxylic acid 3,3-Dimethyl-2-[(1E)-3-oxo-1-butenyl]-1-cyclobutene-1-carboxylic acid 3,3-Dimethyl-2-[(E)-3-oxobut-1-enyl]-1-cyclobutenecarboxylic acid 3,3-Dimethyl-2-[(E)-3-oxidanylidenebut-1-enyl]cyclobutene-1-carboxylic acid 3,3-Dimethyl-2-[(E)-3-oxobut-1-enyl]cyclobutene-1-carboxylic acid
Wiley ID 473211