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3H-Benz[f]indazole-4,9-dione, 9a-(1,1-dimethylethyl)-3a,9a-dihydro-3,3-dimethyl-, cis-(.+-.)-
SpectraBase Compound ID 2hddFeKg78q
InChI InChI=1S/C17H20N2O2/c1-15(2,3)17-13(16(4,5)18-19-17)12(20)10-8-6-7-9-11(10)14(17)21/h6-9,13H,1-5H3/t13-,17+/m1/s1
InChIKey UBPHDRGFSSBGQM-DYVFJYSZSA-N
Mol Weight 284.36 g/mol
Molecular Formula C17H20N2O2
Exact Mass 284.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Czg0BAMpSe2
Name 3H-Benz[f]indazole-4,9-dione, 9a-(1,1-dimethylethyl)-3a,9a-dihydro-3,3-dimethyl-, cis-(.+-.)-
CAS Registry Number 109542-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O2
InChI InChI=1S/C17H20N2O2/c1-15(2,3)17-13(16(4,5)18-19-17)12(20)10-8-6-7-9-11(10)14(17)21/h6-9,13H,1-5H3/t13-,17+/m1/s1
InChIKey UBPHDRGFSSBGQM-DYVFJYSZSA-N
Molecular Weight 284.359 g/mol
SMILES [C@]12([C@](C(=O)c3c(C2=O)cccc3)(C(C)(C)N=N1)[H])C(C)(C)C
SPLASH splash10-0udi-0090000000-25d05af2a4c345c89676
Source of Spectrum KC-1986-2220-3
Synonyms (3aR,9aR)-9a-tert-butyl-3,3-dimethyl-3a,9a-dihydro-3H-benzo[f]indazole-4,9-dione (3aRS,9aSR)-3a,9a-dihydro-3,3-dimethyl-9a-t-butylbenz[f]indazole-4,9(3H)-dione
Wiley ID 1288116