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4-Cyclopentene-1,3-dione, 4-chloro-5-(1,1-dimethylethyl)-2-methyl-
SpectraBase Compound ID 9REZzCZgaPC
InChI InChI=1S/C10H13ClO2/c1-5-8(12)6(10(2,3)4)7(11)9(5)13/h5H,1-4H3
InChIKey IPMZKDMKFPXOMI-UHFFFAOYSA-N
Mol Weight 200.66 g/mol
Molecular Formula C10H13ClO2
Exact Mass 200.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0hhevhz5kg
Name 4-Cyclopentene-1,3-dione, 4-chloro-5-(1,1-dimethylethyl)-2-methyl-
Alternate Name(s) 4-tert-Butyl-5-chloro-2-methyl-4-cyclopentene-1,3-dione 4-tert-Butyl-5-chloro-2-methylcyclopent-4-ene-1,3-dione
CAS Registry Number 74987-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClO2
InChI InChI=1S/C10H13ClO2/c1-5-8(12)6(10(2,3)4)7(11)9(5)13/h5H,1-4H3
InChIKey IPMZKDMKFPXOMI-UHFFFAOYSA-N
Molecular Weight 200.665 g/mol
SMILES C1(=C(C(=O)C(C1=O)C)Cl)C(C)(C)C
SPLASH splash10-0f79-0930000000-ac52576397be6b51be55
Source of Spectrum J-45-4488-0
Wiley ID 1197336