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3-(4-tert-butyl-phenoxymethyl)-6-(4-chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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3-(4-tert-butyl-phenoxymethyl)-6-(4-chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 9ET1pepd1RX
InChI InChI=1S/C21H21ClN4OS/c1-21(2,3)15-6-10-17(11-7-15)27-12-19-23-24-20-26(19)25-18(13-28-20)14-4-8-16(22)9-5-14/h4-11H,12-13H2,1-3H3
InChIKey UGLCBRNFHHQKNM-UHFFFAOYSA-N
Mol Weight 412.94 g/mol
Molecular Formula C21H21ClN4OS
Exact Mass 412.11246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmCgFai6TXe
Name 3-(4-tert-butyl-phenoxymethyl)-6-(4-chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Alternate Name(s) 4-tert-Butylphenyl[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN4OS
InChI InChI=1S/C21H21ClN4OS/c1-21(2,3)15-6-10-17(11-7-15)27-12-19-23-24-20-26(19)25-18(13-28-20)14-4-8-16(22)9-5-14/h4-11H,12-13H2,1-3H3
InChIKey UGLCBRNFHHQKNM-UHFFFAOYSA-N
Molecular Weight 412.939 g/mol
SMILES CC(c1ccc(OCc2[n]3N=C(c4ccc(cc4)Cl)CSc3nn2)cc1)(C)C
SPLASH splash10-01u0-9220000000-ba96bb303fa2c811d1e0
Wiley ID 1466193