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3,9-bis(1,1-dimethylpentyl)-12,14-dihydro-[1,4]benzothiazino[3,2-b]phenothiazine
SpectraBase Compound ID BhRGvRK7dPB
InChI InChI=1S/C32H40N2S2/c1-7-9-15-31(3,4)21-11-13-23-27(17-21)35-29-20-30-26(19-25(29)33-23)34-24-14-12-22(18-28(24)36-30)32(5,6)16-10-8-2/h11-14,17-20,33-34H,7-10,15-16H2,1-6H3
InChIKey IKKVAOKUWXTAAF-UHFFFAOYSA-N
Mol Weight 516.8 g/mol
Molecular Formula C32H40N2S2
Exact Mass 516.263292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2e8LIBuRGwB
Name 3,9-bis(1,1-dimethylpentyl)-12,14-dihydro-[1,4]benzothiazino[3,2-b]phenothiazine
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Formula C32H40N2S2
InChI InChI=1S/C32H40N2S2/c1-7-9-15-31(3,4)21-11-13-23-27(17-21)35-29-20-30-26(19-25(29)33-23)34-24-14-12-22(18-28(24)36-30)32(5,6)16-10-8-2/h11-14,17-20,33-34H,7-10,15-16H2,1-6H3
InChIKey IKKVAOKUWXTAAF-UHFFFAOYSA-N
Molecular Weight 516.806 g/mol
SMILES N1c2ccc(cc2Sc2c1cc1c(Sc3c(N1)ccc(c3)C(CCCC)(C)C)c2)C(CCCC)(C)C
SPLASH splash10-014i-0000190000-3cc299a26fb325d57d59
Source of Spectrum J-59-2747-3
Synonyms 3,9-bis(2-methylhexan-2-yl)-12,14-dihydro-[1,4]benzothiazino[3,2-b]phenothiazine
Wiley ID 1401473