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5,13-Bis(2-hydroxyethyl)-7,8,9,10,16,17,18,19,20-nonahydro-dibenzo-[g,o][1,9,5,13] dithiadiazacyclohexadecine

View entire compound with spectra: 1 MS (GC)

5,13-Bis(2-hydroxyethyl)-7,8,9,10,16,17,18,19,20-nonahydro-dibenzo-[g,o][1,9,5,13] dithiadiazacyclohexadecine
SpectraBase Compound ID 45dly7EdCv6
InChI InChI=1S/C24H34N2O2S2/c27-15-13-25-11-5-18-30-24-10-4-2-8-22(24)20-26(14-16-28)12-6-17-29-23-9-3-1-7-21(23)19-25/h1-4,7-10,27-28H,5-6,11-20H2
InChIKey IDNKLYVPULFJPA-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C24H34N2O2S2
Exact Mass 446.206171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXEDiPHkThv
Name 5,13-Bis(2-hydroxyethyl)-7,8,9,10,16,17,18,19,20-nonahydro-dibenzo-[g,o][1,9,5,13] dithiadiazacyclohexadecine
Alternate Name(s) 2,2'-(7,8,17,18-tetrahydro-6H,16H-dibenzo[b,j][1,9]dithia[5,13]diazacyclohexadecine-9,19(10H,20H)-diyl)bis(ethan-1-ol)
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Formula C24H34N2O2S2
InChI InChI=1S/C24H34N2O2S2/c27-15-13-25-11-5-18-30-24-10-4-2-8-22(24)20-26(14-16-28)12-6-17-29-23-9-3-1-7-21(23)19-25/h1-4,7-10,27-28H,5-6,11-20H2
InChIKey IDNKLYVPULFJPA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/zaac.200400019
Molecular Weight 446.668 g/mol
SMILES OCCN1CCCSc2c(CN(CCO)CCCSc3c(C1)cccc3)cccc2
SPLASH splash10-0006-7900500000-2bac039ac67e9874bbe5
Source of Spectrum DZ-630-727-L4
Wiley ID 1798559