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(3R,8R,9S)-9-tert-Butyldimethylsilyloxy-3-formylmethylene-6'-methoxyrubane
SpectraBase Compound ID EZVEjubxxEC
InChI InChI=1S/C26H41BN2O3Si/c1-26(2,3)33(5,6)32-25(21-9-12-28-23-8-7-20(31-4)16-22(21)23)24-15-18-10-13-29(24,27)17-19(18)11-14-30/h7-9,12,14,16,18-19,24-25H,10-11,13,15,17H2,1-6,27H3/t18-,19-,24+,25+,29-/m1/s1
InChIKey BKUMWHCRGNPSEO-COWNQURUSA-N
Mol Weight 466.5 g/mol
Molecular Formula C26H39BN2O3Si
Exact Mass 466.2823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmRfsPZxF0Y
Name (3R,8R,9S)-9-tert-Butyldimethylsilyloxy-3-formylmethylene-6'-methoxyrubane
Alternate Name(s) {1-Boranyl-6-[(S)-(tert-butyl-dimethyl-silanyloxy)-(6-methoxy-quinolin-4-yl)-methyl]-1-aza-bicyclo[2.2.2]oct-3-yl}-acetaldehyde
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Formula C26H41BN2O3Si
InChI InChI=1S/C26H41BN2O3Si/c1-26(2,3)33(5,6)32-25(21-9-12-28-23-8-7-20(31-4)16-22(21)23)24-15-18-10-13-29(24,27)17-19(18)11-14-30/h7-9,12,14,16,18-19,24-25H,10-11,13,15,17H2,1-6,27H3/t18-,19-,24+,25+,29-/m1/s1
InChIKey BKUMWHCRGNPSEO-COWNQURUSA-N
Molecular Weight 466.504 g/mol
SMILES [BH-][N@+]12[C@]([C@](c3c4c(ncc3)ccc(c4)OC)(O[Si](C(C)(C)C)(C)C)[H])(C[C@]([C@@](C2)(CC=O)[H])(CC1)[H])[H]
SPLASH splash10-0uka-3219600000-ee99bb1c3ff4ebca25f4
Source of Spectrum F-54-3510-15
Wiley ID 806428