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3-Bromo-10-hexyl-7-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-10H-phenothiazine
SpectraBase Compound ID 49cihrA6DBf
InChI InChI=1S/C24H31BBrNO2S/c1-6-7-8-9-14-27-19-12-10-17(25-28-23(2,3)24(4,5)29-25)15-21(19)30-22-16-18(26)11-13-20(22)27/h10-13,15-16H,6-9,14H2,1-5H3
InChIKey SIMCHKARBHZWMD-UHFFFAOYSA-N
Mol Weight 488.3 g/mol
Molecular Formula C24H31BBrNO2S
Exact Mass 487.135194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWFCubziYEU
Name 3-Bromo-10-hexyl-7-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-10H-phenothiazine
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Formula C24H31BBrNO2S
InChI InChI=1S/C24H31BBrNO2S/c1-6-7-8-9-14-27-19-12-10-17(25-28-23(2,3)24(4,5)29-25)15-21(19)30-22-16-18(26)11-13-20(22)27/h10-13,15-16H,6-9,14H2,1-5H3
InChIKey SIMCHKARBHZWMD-UHFFFAOYSA-N
Molecular Weight 488.291 g/mol
SMILES C1(OB(OC1(C)C)c1cc2Sc3cc(Br)ccc3N(c2cc1)CCCCCC)(C)C
SPLASH splash10-000i-0000900000-a91b41b0faf76c9683c1
Source of Spectrum C5-2002-1168-9
Synonyms 3-Bromo-10-hexyl-7-(4,4,5,5-tetramethyl[1.3.2]dioxaborolan-2-yl)-10H-phenothiazine
Wiley ID 1614687