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1H-Pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-fluorophenyl)-4,8-dihydro-3-hydroxy-1-(1-methylethyl)-
SpectraBase Compound ID 1UzQ5h3MLbd
InChI InChI=1S/C15H16FN3O2S/c1-8(2)19-14-12(15(21)18-19)13(22-7-11(20)17-14)9-3-5-10(16)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKey WZEVTVCXIZBPIO-UHFFFAOYSA-N
Mol Weight 321.37 g/mol
Molecular Formula C15H16FN3O2S
Exact Mass 321.094726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jwpdXnk88Y
Name 1H-Pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-fluorophenyl)-4,8-dihydro-3-hydroxy-1-(1-methylethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16FN3O2S
InChI InChI=1S/C15H16FN3O2S/c1-8(2)19-14-12(15(21)18-19)13(22-7-11(20)17-14)9-3-5-10(16)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKey WZEVTVCXIZBPIO-UHFFFAOYSA-N
Molecular Weight 321.370 g/mol
SMILES N1C(CSC(c2c1[n](nc2O)C(C)C)c1ccc(cc1)F)=O
SPLASH splash10-0096-8951000000-e3b4d74f13ff5103d956
Source of Spectrum IY-2-5069-3
Synonyms 4-(4-fluorophenyl)-3-hydroxy-1-(propan-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one 4-(4-fluorophenyl)-1-isopropyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione 4-(4-fluorophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Wiley ID 1658676