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2-[(E)-3-hydroxy-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID 8iJ5tuS5jpG
InChI InChI=1S/C16H26O5/c1-5-20-13(17)16(14(18)21-6-2)10-7-8-12(16)9-11-15(3,4)19/h9,11-12,19H,5-8,10H2,1-4H3/b11-9+/t12-/m1/s1
InChIKey OUPZEHJOQQFCMC-LMMOQWNQSA-N
Mol Weight 298.38 g/mol
Molecular Formula C16H26O5
Exact Mass 298.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsfQmILyj8H
Name 2-[(E)-3-hydroxy-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 2-[(E)-3-hydroxy-3-methyl-but-1-enyl]cyclopentane-1,1-dicarboxylate Diethyl 2-[(E)-3-methyl-3-oxidanyl-but-1-enyl]cyclopentane-1,1-dicarboxylate
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Formula C16H26O5
InChI InChI=1S/C16H26O5/c1-5-20-13(17)16(14(18)21-6-2)10-7-8-12(16)9-11-15(3,4)19/h9,11-12,19H,5-8,10H2,1-4H3/b11-9+/t12-/m1/s1
InChIKey OUPZEHJOQQFCMC-LMMOQWNQSA-N
Molecular Weight 298.379 g/mol
SMILES OC(\C=C\[C@@]1(C(C(=O)OCC)(C(=O)OCC)CCC1)[H])(C)C
SPLASH splash10-053r-1980000000-d4f4d034bda61e3b3f1c
Source of Spectrum K1-2002-728-18
Wiley ID 1522120