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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 5WGrOhYKPKa
Name Pindone
CAS Registry Number 83-26-1
Classification Rodenticide
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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
Nominal Mass 230 u
Quality 937
Retention Index 1705
SMILES C1(C(C(C)(C)C)=O)C(C=2C(C1=O)=CC=CC2)=O
SPLASH splash10-00di-6910000000-dbc3b5e334ac9b0ff9bc
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Pival Pivaldione 2-(2,2-dimethylpropanoyl)indene-1,3-dione
Technique GC/MS
Wiley ID DD2024_013762