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2-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID KbOBhTsLfW7
InChI InChI=1S/C16H26O6/c1-5-20-13(17)16(14(18)21-6-2)10-7-8-12(16)9-11-15(3,4)22-19/h9,11-12,19H,5-8,10H2,1-4H3/b11-9+
InChIKey PKDJBZXSPXUFOA-PKNBQFBNSA-N
Mol Weight 314.38 g/mol
Molecular Formula C16H26O6
Exact Mass 314.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qiXuBHPbfd
Name 2-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 2-[(E)-3-(dioxidanyl)-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylate Diethyl 2-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylate 2-[(E)-3-hydroperoxy-3-methylbut-1-enyl]cyclopentane-1,1-dicarboxylic acid diethyl ester
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Formula C16H26O6
InChI InChI=1S/C16H26O6/c1-5-20-13(17)16(14(18)21-6-2)10-7-8-12(16)9-11-15(3,4)22-19/h9,11-12,19H,5-8,10H2,1-4H3/b11-9+
InChIKey PKDJBZXSPXUFOA-PKNBQFBNSA-N
Molecular Weight 314.378 g/mol
SMILES OOC(\C=C\C1C(C(=O)OCC)(C(=O)OCC)CCC1)(C)C
SPLASH splash10-0a59-4690000000-44b53e09be2e965ed2aa
Source of Spectrum K1-2002-728-14
Wiley ID 1522124