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4,4-Bis(methoxycarbonyl)-7-methyloct-6-enoic acid

View entire compound with spectra: 1 MS (GC)

4,4-Bis(methoxycarbonyl)-7-methyloct-6-enoic acid
SpectraBase Compound ID 3srN7YlL1lR
InChI InChI=1S/C13H20O6/c1-9(2)5-7-13(11(16)18-3,12(17)19-4)8-6-10(14)15/h5H,6-8H2,1-4H3,(H,14,15)
InChIKey QFBYCNHNGNQYGZ-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3a1Vfa1DjSu
Name 4,4-Bis(methoxycarbonyl)-7-methyloct-6-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-9(2)5-7-13(11(16)18-3,12(17)19-4)8-6-10(14)15/h5H,6-8H2,1-4H3,(H,14,15)
InChIKey QFBYCNHNGNQYGZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702832x
Molecular Weight 272.297 g/mol
SMILES OC(CCC(C(=O)OC)(CC=C(C)C)C(OC)=O)=O
SPLASH splash10-03xu-9520000000-2be04a4ff34800c25bb7
Source of Spectrum A1-10-985/SM15-arb11
Wiley ID 1759030