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Bicyclo[3.1.1]heptane-6-carboxylic acid, 7-[7-(ethoxycarbonyl)bicyclo[3.1.1]hept-6-ylidene]-, ethyl ester, stereoisomer
SpectraBase Compound ID AfDd1O6LK0b
InChI InChI=1S/C20H28O4/c1-3-23-19(21)17-11-7-5-8-12(17)15(11)16-13-9-6-10-14(16)18(13)20(22)24-4-2/h11-14,17-18H,3-10H2,1-2H3/b16-15-/t11-,12+,13+,14-,17?,18?
InChIKey ULZXXJQPQLQLPL-RXUCNFJHSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGAuheisiei
Name Bicyclo[3.1.1]heptane-6-carboxylic acid, 7-[7-(ethoxycarbonyl)bicyclo[3.1.1]hept-6-ylidene]-, ethyl ester, stereoisomer
Alternate Name(s) Diethyl ester of trans-6,6'-bis(bicyclo[3.1.1]-heptylidene)-endo-7-endo-7'-dicarboxylic acid Ethyl 7-[7-(ethoxycarbonyl)bicyclo[3.1.1]heptan-6-ylidene]bicyclo[3.1.1]heptane-6-carboxylate
CAS Registry Number 90013-76-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-3-23-19(21)17-11-7-5-8-12(17)15(11)16-13-9-6-10-14(16)18(13)20(22)24-4-2/h11-14,17-18H,3-10H2,1-2H3/b16-15-/t11-,12+,13+,14-,17?,18?
InChIKey ULZXXJQPQLQLPL-RXUCNFJHSA-N
Molecular Weight 332.440 g/mol
SMILES [C@]12(\C(=C\3[C@@]4(CCC[C@]3(C4C(=O)OCC)[H])[H])[C@](CCC2)(C1C(=O)OCC)[H])[H]
SPLASH splash10-02jc-1922000000-5f8772be9c643d6e0369
Source of Spectrum K-117-946-0
Wiley ID 1329608