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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-methylpropyl)-
SpectraBase Compound ID AfWnczqueg6
InChI InChI=1S/C16H18FN3O2S/c1-3-9(2)20-15-13(16(22)19-20)14(23-8-12(21)18-15)10-4-6-11(17)7-5-10/h4-7,9,14H,3,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKey DPJBQLZWZOXUEU-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C16H18FN3O2S
Exact Mass 335.110376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7khVz34kETF
Name 1H-Pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-fluorophenyl)-4,8-dihydro-3-hydroxy-1-(1-methylpropyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18FN3O2S
InChI InChI=1S/C16H18FN3O2S/c1-3-9(2)20-15-13(16(22)19-20)14(23-8-12(21)18-15)10-4-6-11(17)7-5-10/h4-7,9,14H,3,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKey DPJBQLZWZOXUEU-UHFFFAOYSA-N
Molecular Weight 335.397 g/mol
SMILES Oc1n[n](c2c1C(SCC(=O)N2)c1ccc(cc1)F)C(CC)C
SPLASH splash10-053g-6952000000-ef605c8906e29af5e26c
Source of Spectrum IY-1-4581-4
Synonyms 4-(4-fluorophenyl)-1-sec-butyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione 1-Butan-2-yl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Wiley ID 1653797