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1-Acetylisatin
SpectraBase Compound ID E0SstqrTcg0
InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
InChIKey LPGDEHBASRKTDG-UHFFFAOYSA-N
Mol Weight 189.17 g/mol
Molecular Formula C10H7NO3
Exact Mass 189.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ecdQygue5w
Name N-acetylisatin, 1TMS, 2MEOX
Comments Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 319.135); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000045; Note: The molecular formula of the structure shown is C10H7NO3 - which differs from the formula reported for the mass spectrum (C15H21N3O3Si)
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Formula C15H21N3O3Si
InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
InChIKey LPGDEHBASRKTDG-UHFFFAOYSA-N
Molecular Weight 189.170 g/mol
SMILES CC(N1c2ccccc2C(C1=O)=O)=O
SPLASH splash10-000f-2930000000-52c9410560050778db71
Source of Spectrum FM-2019-45-0
Synonyms N-Acetylisatin, 1TMS, 2MEOX Acetylisatin, 1TMS, 2MEOX 1-Acetylisatin, 1TMS, 2MEOX 1-Acetyl-indole-2,3-dione, 1TMS, 2MEOX 1-Acetyl-1H-indole-2,3-dione, 1TMS, 2MEOX 1H-Indole-2,3-dione, 1-acetyl-, 1TMS, 2MEOX 1-Acetylindole-2,3-dione, 1TMS, 2MEOX 1-Acetylindoline-2,3-dione
Wiley ID 1817746