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1H-Pyrazolo[3,4-E][1,4]thiazepin-7(6H)-one, 4,8-dihydro-3-hydroxy-1-(1-methylbutyl)-4-phenyl-
SpectraBase Compound ID 3Xf3RRXToan
InChI InChI=1S/C17H21N3O2S/c1-3-7-11(2)20-16-14(17(22)19-20)15(23-10-13(21)18-16)12-8-5-4-6-9-12/h4-6,8-9,11,15H,3,7,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKey DCIRBJLVXMMCBR-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C17H21N3O2S
Exact Mass 331.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0n7jgmxNs4
Name 1H-Pyrazolo[3,4-E][1,4]thiazepin-7(6H)-one, 4,8-dihydro-3-hydroxy-1-(1-methylbutyl)-4-phenyl-
Alternate Name(s) 1-(1-Methylbutyl)-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione 1-(1-Methylbutyl)-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone 1-Pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
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Formula C17H21N3O2S
InChI InChI=1S/C17H21N3O2S/c1-3-7-11(2)20-16-14(17(22)19-20)15(23-10-13(21)18-16)12-8-5-4-6-9-12/h4-6,8-9,11,15H,3,7,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKey DCIRBJLVXMMCBR-UHFFFAOYSA-N
Molecular Weight 331.434 g/mol
SMILES Oc1n[n](c2c1C(SCC(=O)N2)c1ccccc1)C(CCC)C
SPLASH splash10-001r-1693000000-bc6ff7f039cc5957a4eb
Wiley ID 1448449