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Bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid, 1-hydroxy-8,8-dimethyl-5-oxo-, dimethyl ester, acetate
SpectraBase Compound ID RA0gP1RpGk
InChI InChI=1S/C16H20O7/c1-8(17)23-16-6-9(18)11(15(2,3)7-16)10(13(19)21-4)12(16)14(20)22-5/h11H,6-7H2,1-5H3/t11-,16+/m1/s1
InChIKey VDBDLWPZAVNNCF-BZNIZROVSA-N
Mol Weight 324.33 g/mol
Molecular Formula C16H20O7
Exact Mass 324.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Tb2fPOM1IN
Name Bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid, 1-hydroxy-8,8-dimethyl-5-oxo-, dimethyl ester, acetate
Alternate Name(s) Dimethyl 1-(acetyloxy)-5,5-dimethyl-8-oxobicyclo[2.2.2]oct-2-ene-2,3-dicarboxylate 4-Acetoxy-7-keto-2,2-dimethyl-bicyclo[2.2.2]oct-5-ene-5,6-dicarboxylic acid dimethyl ester 4-Acetyloxy-2,2-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-5,6-dicarboxylic acid dimethyl ester Dimethyl 4-acetoxy-2,2-dimethyl-7-oxo-bicyclo[2.2.2]oct-5-ene-5,6-dicarboxylate Dimethyl 4-acetyloxy-2,2-dimethyl-7-oxidanylidene-bicyclo[2.2.2]oct-5-ene-5,6-dicarboxylate Dimethyl 4-acetyloxy-2,2-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-5,6-dicarboxylate
CAS Registry Number 25864-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O7
InChI InChI=1S/C16H20O7/c1-8(17)23-16-6-9(18)11(15(2,3)7-16)10(13(19)21-4)12(16)14(20)22-5/h11H,6-7H2,1-5H3/t11-,16+/m1/s1
InChIKey VDBDLWPZAVNNCF-BZNIZROVSA-N
Molecular Weight 324.329 g/mol
SMILES C(O[C@@]12C(C(OC)=O)=C(C(OC)=O)[C@](C(C2)(C)C)(C(C1)=O)[H])(C)=O
SPLASH splash10-0006-2490000000-14c9f0622ffba7f7b579
Source of Spectrum EP-6315-0-0
Wiley ID 1323019