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(E)-Ethyl 4-(1-(tert-butyldimethylsilyl)-2-(1,3-dioxan-2-yl)vinyl)-3-nitrobenzoate
SpectraBase Compound ID C966vcxTsjc
InChI InChI=1S/C21H31NO6Si/c1-7-26-20(23)15-9-10-16(17(13-15)22(24)25)18(29(5,6)21(2,3)4)14-19-27-11-8-12-28-19/h9-10,13-14,19H,7-8,11-12H2,1-6H3/b18-14+
InChIKey PHPIGSUVVWDRSK-NBVRZTHBSA-N
Mol Weight 421.57 g/mol
Molecular Formula C21H31NO6Si
Exact Mass 421.192064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56EgCIkWJr3
Name (E)-Ethyl 4-(1-(tert-butyldimethylsilyl)-2-(1,3-dioxan-2-yl)vinyl)-3-nitrobenzoate
Appearance Pale yellow solid
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Exact Mass 421.192064251 u
Formula C21H31NO6Si
InChI InChI=1S/C21H31NO6Si/c1-7-26-20(23)15-9-10-16(17(13-15)22(24)25)18(29(5,6)21(2,3)4)14-19-27-11-8-12-28-19/h9-10,13-14,19H,7-8,11-12H2,1-6H3/b18-14+
InChIKey PHPIGSUVVWDRSK-NBVRZTHBSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201600961
Molecular Weight 421.565 g/mol
Quality 174
Reported Formula C21H31NO6Si
SMILES C1=C([N+]([O-])=O)C(\C(=C/C2OCCCO2)[Si](C)(C)C(C)(C)C)=CC=C1C(=O)OCC
SPLASH splash10-0imi-2179000000-99711efd99db7ad3c2e0
Source of Spectrum ACI-55-SM20-16e (DOI: 10.1002/anie.201600961)
Wiley ID 1897363