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1,4-Cyclopentadiene-1-carboxylic acid, 4-acetyl-3-(1-hydroxyethylidene)-5-methyl-, methyl ester
SpectraBase Compound ID 8r06haDrDsc
InChI InChI=1S/C12H14O4/c1-6-9(12(15)16-4)5-10(7(2)13)11(6)8(3)14/h5,13H,1-4H3/b10-7+
InChIKey NCKMMAKCBOBCAS-JXMROGBWSA-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 p4DMTVQdJm
Name 1,4-Cyclopentadiene-1-carboxylic acid, 4-acetyl-3-(1-hydroxyethylidene)-5-methyl-, methyl ester
Alternate Name(s) Methyl (3E)-4-acetyl-3-(1-hydroxyethylidene)-5-methyl-1,4-cyclopentadiene-1-carboxylate 1-[(3E)-5-acetyl-3-[hydroxy(methoxy)methylene]-4-methyl-cyclopenta-1,4-dien-1-yl]ethanone 1-[(3E)-5-acetyl-3-[hydroxy(methoxy)methylidene]-4-methyl-1-cyclopenta-1,4-dienyl]ethanone 1-[(3E)-5-acetyl-3-[hydroxy(methoxy)methylidene]-4-methylcyclopenta-1,4-dien-1-yl]ethanone 1-[(3E)-5-ethanoyl-3-[methoxy(oxidanyl)methylidene]-4-methyl-cyclopenta-1,4-dien-1-yl]ethanone 1-{(3E)-5-acetyl-3-[hydroxy(methoxy)methylene]-2-methyl-1,4-cyclopentadien-1-yl}ethanone Methyl 4-acetyl-.alpha.-hydroxy-3,.alpha.-dimethylfulvene-2-carboxylate
CAS Registry Number 54889-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-6-9(12(15)16-4)5-10(7(2)13)11(6)8(3)14/h5,13H,1-4H3/b10-7+
InChIKey NCKMMAKCBOBCAS-JXMROGBWSA-N
Molecular Weight 222.240 g/mol
SMILES O\C(=C\1C(=C(C)C(=C1)C(=O)OC)C(=O)C)C
SPLASH splash10-004l-1910000000-9fe2e40b772641fbc2c6
Source of Spectrum T-67-2387-0
Wiley ID 1222173