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1,4-bis{4-(3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-yl)phenoxy}butane
SpectraBase Compound ID 135GRlS7fR7
InChI InChI=1S/C26H26N8O2S2/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/h5-12H,3-4,13-16H2,1-2H3
InChIKey UEUBLJWWCWDQPI-UHFFFAOYSA-N
Mol Weight 546.67 g/mol
Molecular Formula C26H26N8O2S2
Exact Mass 546.162014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBegYpDxHis
Name 1,4-bis{4-(3-methyl-7H-[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 C26H26N8O2S2
InChI InChI=1S/C26H26N8O2S2/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/h5-12H,3-4,13-16H2,1-2H3
InChIKey UEUBLJWWCWDQPI-UHFFFAOYSA-N
Molecular Weight 546.668 g/mol
SMILES C(CCCOc1ccc(cc1)C1=N[n]2c(SC1)nnc2C)Oc1ccc(cc1)C1=N[n]2c(SC1)nnc2C
SPLASH splash10-0ab9-9420030000-91f74b5d84909253988c
Source of Spectrum Y-49-644-11c
Wiley ID 1716695