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3-[3'-{N'-acetyl-N'-(t-butylamino)}-2'-acetoxypropoxy]-4-(morpholin-4''-yl)-1,2,5-triadiazole
SpectraBase Compound ID 1GSzuQOtSLt
InChI InChI=1S/C17H22F6N4O5S/c1-15(2,3)27(13(28)16(18,19)20)8-10(32-14(29)17(21,22)23)9-31-12-11(24-33-25-12)26-4-6-30-7-5-26/h10H,4-9H2,1-3H3
InChIKey GBNAAUGTCULCLO-UHFFFAOYSA-N
Mol Weight 508.44 g/mol
Molecular Formula C17H22F6N4O5S
Exact Mass 508.12151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7bq14ZMein
Name 3-[3'-{N'-acetyl-N'-(t-butylamino)}-2'-acetoxypropoxy]-4-(morpholin-4''-yl)-1,2,5-triadiazole
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Formula C17H22F6N4O5S
InChI InChI=1S/C17H22F6N4O5S/c1-15(2,3)27(13(28)16(18,19)20)8-10(32-14(29)17(21,22)23)9-31-12-11(24-33-25-12)26-4-6-30-7-5-26/h10H,4-9H2,1-3H3
InChIKey GBNAAUGTCULCLO-UHFFFAOYSA-N
Molecular Weight 508.436 g/mol
SMILES c1(c(nsn1)OCC(OC(C(F)(F)F)=O)CN(C(C(F)(F)F)=O)C(C)(C)C)N1CCOCC1
SPLASH splash10-00kr-2930000000-8ccd9f275fb543d3cb69
Source of Spectrum CJ-0-39-0
Synonyms 2-[tert-butyl(trifluoroacetyl)amino]-1-({[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}methyl)ethyl trifluoroacetate 3-[3'-{N'-acetyl-N'-(t-butylamino)}-2'-acetoxypropoxy]-4-(morpholin-4''-yl)-1,2,5-triadiazole Bis(trifluoroacetyl)-timolol derivative
Wiley ID 1400087