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1,3-Dioxa-2-silacyclohexane-5-acetic acid, 4-(1,3-benzodioxol-5-yl)-2,2-bis(1,1-dimethylethyl)-, methyl ester, cis-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1,3-Dioxa-2-silacyclohexane-5-acetic acid, 4-(1,3-benzodioxol-5-yl)-2,2-bis(1,1-dimethylethyl)-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID 2Ab3Jssf5tt
InChI InChI=1S/C21H32O6Si/c1-20(2,3)28(21(4,5)6)26-12-15(11-18(22)23-7)19(27-28)14-8-9-16-17(10-14)25-13-24-16/h8-10,15,19H,11-13H2,1-7H3/t15-,19-/m1/s1
InChIKey JEWPJWGYKXLYER-DNVCBOLYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C21H32O6Si
Exact Mass 408.196815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrqPPUh4NqM
Name 1,3-Dioxa-2-silacyclohexane-5-acetic acid, 4-(1,3-benzodioxol-5-yl)-2,2-bis(1,1-dimethylethyl)-, methyl ester, cis-(.+-.)-
Alternate Name(s) Methyl syn-(2,2-di-t.butyl-4-(3',4'-methylenedioxyphenyl)-2-sila-1,3-dioxan-5-yl)-acetate Methyl[(4S,5R)-4-(1,3-benzodioxol-5-yl)-2,2-ditert-butyldihydro-4H-1,3,2-dioxasilin-5-yl]acetate
CAS Registry Number 99463-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O6Si
InChI InChI=1S/C21H32O6Si/c1-20(2,3)28(21(4,5)6)26-12-15(11-18(22)23-7)19(27-28)14-8-9-16-17(10-14)25-13-24-16/h8-10,15,19H,11-13H2,1-7H3/t15-,19-/m1/s1
InChIKey JEWPJWGYKXLYER-DNVCBOLYSA-N
Molecular Weight 408.566 g/mol
SMILES [C@]1(O[Si](OC[C@]1(CC(=O)OC)[H])(C(C)(C)C)C(C)(C)C)(c1cc2OCOc2cc1)[H]
SPLASH splash10-0ukl-5609000000-91c42db721cc23eb455e
Source of Spectrum F-42-4306-14
Wiley ID 1372889