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4H-Cyclopenta-1,3-dioxole-4,6-dicarboxylic acid, 5-(1,1-dimethylethoxy)tetrahydro-2,2-dimethyl-, dimethyl ester, (3a.alpha.,4.alpha.,5.alpha.,6.alpha.,6a.alpha.)-

View entire compound with spectra: 1 MS (GC)

4H-Cyclopenta-1,3-dioxole-4,6-dicarboxylic acid, 5-(1,1-dimethylethoxy)tetrahydro-2,2-dimethyl-, dimethyl ester, (3a.alpha.,4.alpha.,5.alpha.,6.alpha.,6a.alpha.)-
SpectraBase Compound ID 7HpuchU8svx
InChI InChI=1S/C16H26O7/c1-15(2,3)21-10-8(13(17)19-6)11-12(9(10)14(18)20-7)23-16(4,5)22-11/h8-12H,1-7H3/t8-,9+,10+,11+,12-
InChIKey FGFNGNVCLDGYDO-SSMOUHFUSA-N
Mol Weight 330.38 g/mol
Molecular Formula C16H26O7
Exact Mass 330.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UlCc1r1dVi
Name 4H-Cyclopenta-1,3-dioxole-4,6-dicarboxylic acid, 5-(1,1-dimethylethoxy)tetrahydro-2,2-dimethyl-, dimethyl ester, (3a.alpha.,4.alpha.,5.alpha.,6.alpha.,6a.alpha.)-
Alternate Name(s) Dimethyl (3aR,4S,6R,6aS)-5-tert-butoxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,6-dicarboxylate Dimethyl 2.alpha.,3.alpha.-[(dimethylmethylene)dioxy]-5.beta.-tert-butoxy-1.beta.,4.beta.-cyclopentadicarboxylate
CAS Registry Number 112576-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O7
InChI InChI=1S/C16H26O7/c1-15(2,3)21-10-8(13(17)19-6)11-12(9(10)14(18)20-7)23-16(4,5)22-11/h8-12H,1-7H3/t8-,9+,10+,11+,12-
InChIKey FGFNGNVCLDGYDO-SSMOUHFUSA-N
Molecular Weight 330.377 g/mol
SMILES [C@]1([C@]2([C@@](OC(O2)(C)C)([H])[C@]([C@]1(OC(C)(C)C)[H])(C(=O)OC)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0adi-9842000000-05c3d7d71a8f3b076e2b
Source of Spectrum J-53-941-5
Wiley ID 1327640