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2-pivaloyl-1,3-indandione
SpectraBase Compound ID 7MqYY2I4BqL
InChI InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3
InChIKey RZKYEQDPDZUERB-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c2qGVKL24u
Name Pindone
CAS Registry Number 83-26-1
Classification Rodenticide
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Exact Mass 230.094294308 u
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3
InChIKey RZKYEQDPDZUERB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 230.263 g/mol
SMILES c1cc2C(C(C(=O)c2cc1)C(=O)C(C)(C)C)=O
SPLASH splash10-00di-5900000000-050c42487388a343cfa8
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3652