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2-(2-Amino-1,3-bisethoxycarbonyl-6-azulenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID 3XACOyganm3
InChI InChI=1S/C22H28BNO6/c1-7-27-19(25)16-14-11-9-13(23-29-21(3,4)22(5,6)30-23)10-12-15(14)17(18(16)24)20(26)28-8-2/h9-12H,7-8,24H2,1-6H3
InChIKey RULYVVOFPYPTHR-UHFFFAOYSA-N
Mol Weight 413.3 g/mol
Molecular Formula C22H28BNO6
Exact Mass 413.200968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cNNlwHBe9O
Name 2-(2-Amino-1,3-bisethoxycarbonyl-6-azulenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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Formula C22H28BNO6
InChI InChI=1S/C22H28BNO6/c1-7-27-19(25)16-14-11-9-13(23-29-21(3,4)22(5,6)30-23)10-12-15(14)17(18(16)24)20(26)28-8-2/h9-12H,7-8,24H2,1-6H3
InChIKey RULYVVOFPYPTHR-UHFFFAOYSA-N
Molecular Weight 413.277 g/mol
SMILES Nc1c(C(=O)OCC)c2c(c1C(=O)OCC)ccc(B1OC(C)(C)C(O1)(C)C)cc2
SPLASH splash10-01ot-0091500000-b40440b01cba9d63fab2
Source of Spectrum C5-2002-1015-1
Synonyms Diethyl 2-amino-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-azulenedicarboxylate
Wiley ID 1614662