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6-(Ethoxycarbonyl)-4,4-dimethylhept-6-enoic acid
SpectraBase Compound ID KSowI7T60zW
InChI InChI=1S/C12H20O4/c1-5-16-11(15)9(2)8-12(3,4)7-6-10(13)14/h2,5-8H2,1,3-4H3,(H,13,14)
InChIKey XXJJEDBIECXRGL-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9erPx6oAx7c
Name 6-(Ethoxycarbonyl)-4,4-dimethylhept-6-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-5-16-11(15)9(2)8-12(3,4)7-6-10(13)14/h2,5-8H2,1,3-4H3,(H,13,14)
InChIKey XXJJEDBIECXRGL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00802
Molecular Weight 228.288 g/mol
SMILES OC(=O)CCC(CC(C(OCC)=O)=C)(C)C
SPLASH splash10-014i-6900000000-4577a6d4f0f461074330
Source of Spectrum A1-18-2188/SM11-7
Wiley ID 1805399