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4-[2-(Ethoxycarbonyl)-3-oxobut-1-en-1-yl]benzoic acid

View entire compound with spectra: 1 MS (GC)

4-[2-(Ethoxycarbonyl)-3-oxobut-1-en-1-yl]benzoic acid
SpectraBase Compound ID LRmeuJVYZ9d
InChI InChI=1S/C14H14O5/c1-3-19-14(18)12(9(2)15)8-10-4-6-11(7-5-10)13(16)17/h4-8H,3H2,1-2H3,(H,16,17)/b12-8+
InChIKey MQUOIJVXZSMXDH-XYOKQWHBSA-N
Mol Weight 262.26 g/mol
Molecular Formula C14H14O5
Exact Mass 262.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9pFR7dJQFf
Name 4-[2-(Ethoxycarbonyl)-3-oxobut-1-en-1-yl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O5
InChI InChI=1S/C14H14O5/c1-3-19-14(18)12(9(2)15)8-10-4-6-11(7-5-10)13(16)17/h4-8H,3H2,1-2H3,(H,16,17)/b12-8+
InChIKey MQUOIJVXZSMXDH-XYOKQWHBSA-N
Molecular Weight 262.261 g/mol
SMILES OC(c1ccc(cc1)\C=C/(C(C)=O)C(=O)OCC)=O
SPLASH splash10-02t9-1790000000-195382fdb6422f6a4ce4
Source of Spectrum F2-44-3080-SS6
Wiley ID 1716070