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6-[4-[bis(fluoranyl)methoxy]phenyl]-3-[(4-tert-butylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID Am5kGMuZ3Yh
InChI InChI=1S/C22H22F2N4O2S/c1-22(2,3)15-6-10-16(11-7-15)29-12-19-25-26-21-28(19)27-18(13-31-21)14-4-8-17(9-5-14)30-20(23)24/h4-11,20H,12-13H2,1-3H3
InChIKey RYGOQDCDYWTPPR-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C22H22F2N4O2S
Exact Mass 444.143153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85ZuY1xSDLJ
Name 6-[4-[bis(fluoranyl)methoxy]phenyl]-3-[(4-tert-butylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22F2N4O2S
InChI InChI=1S/C22H22F2N4O2S/c1-22(2,3)15-6-10-16(11-7-15)29-12-19-25-26-21-28(19)27-18(13-31-21)14-4-8-17(9-5-14)30-20(23)24/h4-11,20H,12-13H2,1-3H3
InChIKey RYGOQDCDYWTPPR-UHFFFAOYSA-N
Molecular Weight 444.501 g/mol
SMILES CC(c1ccc(OCc2[n]3N=C(c4ccc(OC(F)F)cc4)CSc3nn2)cc1)(C)C
SPLASH splash10-001j-9330000000-72938f434ea13b8cd515
Wiley ID 1466194