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Cyclopentaneacetic acid, 2-[1-(ethoxycarbonyl)-2-propenylidene]-5-methyl-, [1S-(1.alpha.,2E,5.beta.)]-
SpectraBase Compound ID F6jl9ZcysJM
InChI InChI=1S/C14H20O4/c1-4-10(14(17)18-5-2)11-7-6-9(3)12(11)8-13(15)16/h4,9,12H,1,5-8H2,2-3H3,(H,15,16)/b11-10+/t9-,12+/m1/s1
InChIKey VWVZAQSTANICCS-ZYLXOONTSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6smn9hfTDsN
Name Cyclopentaneacetic acid, 2-[1-(ethoxycarbonyl)-2-propenylidene]-5-methyl-, [1S-(1.alpha.,2E,5.beta.)]-
CAS Registry Number 80781-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-4-10(14(17)18-5-2)11-7-6-9(3)12(11)8-13(15)16/h4,9,12H,1,5-8H2,2-3H3,(H,15,16)/b11-10+/t9-,12+/m1/s1
InChIKey VWVZAQSTANICCS-ZYLXOONTSA-N
Molecular Weight 252.310 g/mol
SMILES OC(C[C@@]1(\C(=C\(C(=O)OCC)C=C)CC[C@]1(C)[H])[H])=O
SPLASH splash10-000f-9640000000-1c0fd0a17d76aa28da63
Source of Spectrum J-47-1526-0
Synonyms [5.alpha.-methyl-2-(vinyl(carboethoxy)methylene)cyclopentyl]acetic acid {(1S,2E,5R)-2-[1-(ethoxycarbonyl)-2-propenylidene]-5-methylcyclopentyl}acetic acid
Wiley ID 1255532