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3H-Benz[f]indazole-4,9-dione, 3a,9a-dihydro-3,3,9a-trimethyl-, cis-(.+-.)-
SpectraBase Compound ID 3Ce66vEXdct
InChI InChI=1S/C14H14N2O2/c1-13(2)11-10(17)8-6-4-5-7-9(8)12(18)14(11,3)16-15-13/h4-7,11H,1-3H3/t11-,14+/m1/s1
InChIKey AAUAIQFBMJQQMU-RISCZKNCSA-N
Mol Weight 242.28 g/mol
Molecular Formula C14H14N2O2
Exact Mass 242.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbkoD3i0B06
Name 3H-Benz[f]indazole-4,9-dione, 3a,9a-dihydro-3,3,9a-trimethyl-, cis-(.+-.)-
CAS Registry Number 109542-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O2
InChI InChI=1S/C14H14N2O2/c1-13(2)11-10(17)8-6-4-5-7-9(8)12(18)14(11,3)16-15-13/h4-7,11H,1-3H3/t11-,14+/m1/s1
InChIKey AAUAIQFBMJQQMU-RISCZKNCSA-N
Molecular Weight 242.278 g/mol
SMILES [C@]12([C@](C(=O)c3c(C2=O)cccc3)(C(C)(C)N=N1)[H])C
SPLASH splash10-0w29-0910000000-cb41aa2c6e95d7fc1cfd
Source of Spectrum KC-1986-2220-1
Synonyms (3aR,9aS)-3,3,9a-trimethyl-3a,9a-dihydro-3H-benzo[f]indazole-4,9-dione (3aRS,9aSR)-3a,9a-dihydro-3,3,9a-trimethylbenz[f]indazole-4,9-(3H)-dione
Wiley ID 1245127