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3-Chloro-4-(tert-butylphenyl)-3-cyclobuten-1,2-dione
SpectraBase Compound ID 8UyNTCm5W5B
InChI InChI=1S/C14H13ClO2/c1-14(2,3)9-7-5-4-6-8(9)10-11(15)13(17)12(10)16/h4-7H,1-3H3
InChIKey MQQPAFNCESTHBI-UHFFFAOYSA-N
Mol Weight 248.71 g/mol
Molecular Formula C14H13ClO2
Exact Mass 248.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LDvmnOWlWY
Name 3-Chloro-4-(tert-butylphenyl)-3-cyclobuten-1,2-dione
Alternate Name(s) 3-(2-tert-butylphenyl)-4-chloro-3-cyclobutene-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClO2
InChI InChI=1S/C14H13ClO2/c1-14(2,3)9-7-5-4-6-8(9)10-11(15)13(17)12(10)16/h4-7H,1-3H3
InChIKey MQQPAFNCESTHBI-UHFFFAOYSA-N
Molecular Weight 248.709 g/mol
SMILES C1(=C(Cl)C(C1=O)=O)c1c(C(C)(C)C)cccc1
SPLASH splash10-004l-0900000000-6177b1a46ed298544dde
Source of Spectrum J-61-2092-12
Wiley ID 1250993