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1,4-Bis{4-(3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-yl)phenoxy}butane
SpectraBase Compound ID 9jabl673ZvV
InChI InChI=1S/C26H30N8O2S2/c1-17-27-29-25-33(17)31-23(15-37-25)19-5-9-21(10-6-19)35-13-3-4-14-36-22-11-7-20(8-12-22)24-16-38-26-30-28-18(2)34(26)32-24/h5-12,23-24,31-32H,3-4,13-16H2,1-2H3
InChIKey GGLFIHUMJNRNGW-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C26H30N8O2S2
Exact Mass 550.193315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oWflZNKoFX
Name 1,4-Bis{4-(3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-yl)phenoxy}butane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N8O2S2
InChI InChI=1S/C26H30N8O2S2/c1-17-27-29-25-33(17)31-23(15-37-25)19-5-9-21(10-6-19)35-13-3-4-14-36-22-11-7-20(8-12-22)24-16-38-26-30-28-18(2)34(26)32-24/h5-12,23-24,31-32H,3-4,13-16H2,1-2H3
InChIKey GGLFIHUMJNRNGW-UHFFFAOYSA-N
Molecular Weight 550.700 g/mol
SMILES N1C(c2ccc(OCCCCOc3ccc(C4CSc5[n](c(nn5)C)N4)cc3)cc2)CSc2[n]1c(nn2)C
SPLASH splash10-0ab9-9520010000-208a8afee5fb07aa999b
Source of Spectrum Y-49-645-12b
Wiley ID 1716689