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2-Benzyl-4-tert-butyl-5-chloro-2-methylcyclopent-4-ene-1,3-dione
SpectraBase Compound ID FatOjJ0wobu
InChI InChI=1S/C17H19ClO2/c1-16(2,3)12-13(18)15(20)17(4,14(12)19)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKey NQCCXJXLLTUBFV-UHFFFAOYSA-N
Mol Weight 290.79 g/mol
Molecular Formula C17H19ClO2
Exact Mass 290.107358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZ8kkDLah4b
Name 2-Benzyl-4-tert-butyl-5-chloro-2-methylcyclopent-4-ene-1,3-dione
Alternate Name(s) 2-Benzyl-4-tert-butyl-5-chloro-2-methyl-4-cyclopentene-1,3-dione
CAS Registry Number 74987-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO2
InChI InChI=1S/C17H19ClO2/c1-16(2,3)12-13(18)15(20)17(4,14(12)19)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKey NQCCXJXLLTUBFV-UHFFFAOYSA-N
Molecular Weight 290.790 g/mol
SMILES C1(C(C(C(C)(C)C)=C(C1=O)Cl)=O)(Cc1ccccc1)C
SPLASH splash10-0006-9010000000-77ae77d396bd31f5645a
Source of Spectrum J-45-4489-0
Wiley ID 1293669