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3'-(2,4-dinitrophenoxy)-6'-(triethoxysilylmethoxy)spiro[isobenzofuran-3,9'-xanthene]-1-one
SpectraBase Compound ID 95dbSFpHFKv
InChI InChI=1S/C33H30N2O12Si/c1-4-42-48(43-5-2,44-6-3)20-41-22-12-14-26-30(18-22)46-31-19-23(45-29-16-11-21(34(37)38)17-28(29)35(39)40)13-15-27(31)33(26)25-10-8-7-9-24(25)32(36)47-33/h7-19H,4-6,20H2,1-3H3
InChIKey CTYNMMVIQONXEY-UHFFFAOYSA-N
Mol Weight 674.7 g/mol
Molecular Formula C33H30N2O12Si
Exact Mass 674.156801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL2CFptT1z7
Name 3'-(2,4-dinitrophenoxy)-6'-(triethoxysilylmethoxy)spiro[isobenzofuran-3,9'-xanthene]-1-one
Appearance Red solid
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Formula C33H30N2O12Si
InChI InChI=1S/C33H30N2O12Si/c1-4-42-48(43-5-2,44-6-3)20-41-22-12-14-26-30(18-22)46-31-19-23(45-29-16-11-21(34(37)38)17-28(29)35(39)40)13-15-27(31)33(26)25-10-8-7-9-24(25)32(36)47-33/h7-19H,4-6,20H2,1-3H3
InChIKey CTYNMMVIQONXEY-UHFFFAOYSA-N
Instrument Name Thermo scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/open.202100132
Molecular Weight 674.690 g/mol
SMILES c1(cc2c(cc1)C1(c3c(O2)cc(cc3)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c2c(C(O1)=O)cccc2)OC[Si](OCC)(OCC)OCC
SPLASH splash10-00di-9634433000-2929ab770032c16bc6bc
Source of Spectrum CHO-10-SM10-3a
Wiley ID 1865928