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2,2-Diethyl-1,3-indandione
SpectraBase Compound ID 6vHJMnI2lcF
InChI InChI=1S/C13H14O2/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
InChIKey TWXPZDBCBRYWSB-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jc8rKWqyhmB
Name 2,2-Diethyl-1,3-indandione
Alternate Name(s) 2,2-Diethyl-1H-indene-1,3(2H)-dione 2,2-Diethylindane-1,3-dione 2,2-Diethylindane-1,3-quinone 2,2-Diethylindene-1,3-dione
CAS Registry Number 72779-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
InChIKey TWXPZDBCBRYWSB-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C1(C(c2ccccc2C1=O)=O)(CC)CC
SPLASH splash10-0fk9-3910000000-2e5a319fdab7c090e339
Source of Spectrum O-29-113-0
Wiley ID 1200132