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1H-Pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-3-hydroxy-1-(1-methylethyl)-4-(4-methylphenyl)-
SpectraBase Compound ID FGb7xrxBQQp
InChI InChI=1S/C16H19N3O2S/c1-9(2)19-15-13(16(21)18-19)14(22-8-12(20)17-15)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3,(H,17,20)(H,18,21)
InChIKey AXQPLMMFXJDNTC-UHFFFAOYSA-N
Mol Weight 317.41 g/mol
Molecular Formula C16H19N3O2S
Exact Mass 317.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBNxGyVwPp4
Name 1H-Pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-3-hydroxy-1-(1-methylethyl)-4-(4-methylphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O2S
InChI InChI=1S/C16H19N3O2S/c1-9(2)19-15-13(16(21)18-19)14(22-8-12(20)17-15)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3,(H,17,20)(H,18,21)
InChIKey AXQPLMMFXJDNTC-UHFFFAOYSA-N
Molecular Weight 317.407 g/mol
SMILES Oc1n[n](c2c1C(SCC(=O)N2)c1ccc(cc1)C)C(C)C
SPLASH splash10-00ou-5972000000-15a55fe4d7524f0f0a70
Source of Spectrum IY-1-4581-3
Synonyms 1-isopropyl-4-(p-tolyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione 4-(4-Methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Wiley ID 1653796