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4-Nitrobenzoic acid (1S*,2S*)-2-(tert-butyldimethylsilyloxymethyl)-3-methoxycarbonyl-1-pentylbut-3-enyl ester
SpectraBase Compound ID ERkA6WnFrRx
InChI InChI=1S/C25H39NO7Si/c1-9-10-11-12-22(33-24(28)19-13-15-20(16-14-19)26(29)30)21(18(2)23(27)31-6)17-32-34(7,8)25(3,4)5/h13-16,21-22H,2,9-12,17H2,1,3-8H3/t21-,22+/m1/s1
InChIKey IYGPFRSCIVDRNG-YADHBBJMSA-N
Mol Weight 493.7 g/mol
Molecular Formula C25H39NO7Si
Exact Mass 493.249579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33qBGkODbQn
Name 4-Nitrobenzoic acid (1S*,2S*)-2-(tert-butyldimethylsilyloxymethyl)-3-methoxycarbonyl-1-pentylbut-3-enyl ester
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Formula C25H39NO7Si
InChI InChI=1S/C25H39NO7Si/c1-9-10-11-12-22(33-24(28)19-13-15-20(16-14-19)26(29)30)21(18(2)23(27)31-6)17-32-34(7,8)25(3,4)5/h13-16,21-22H,2,9-12,17H2,1,3-8H3/t21-,22+/m1/s1
InChIKey IYGPFRSCIVDRNG-YADHBBJMSA-N
Molecular Weight 493.672 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]([C@@](C(C(=O)OC)=C)(CO[Si](C(C)(C)C)(C)C)[H])(CCCCC)[H])=O)cc1
SPLASH splash10-014i-1290000000-6118f64394631fa6a9f0
Source of Spectrum KC-61-2719-24
Synonyms (1S,2S)-2-({[tert-butyl(dimethyl)silyl]oxy}methyl)-3-(methoxycarbonyl)-1-pentyl-3-butenyl 4-nitrobenzoate
Wiley ID 1628197