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Neopentyl trichloroacetate
SpectraBase Compound ID 4VBRvSTB5m2
InChI InChI=1S/C7H11Cl3O2/c1-6(2,3)4-12-5(11)7(8,9)10/h4H2,1-3H3
InChIKey WCORDUWUJLFFJQ-UHFFFAOYSA-N
Mol Weight 233.52 g/mol
Molecular Formula C7H11Cl3O2
Exact Mass 231.982463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5d3M58sKphV
Name Neopentyl trichloroacetate
Alternate Name(s) Trichloroacetic acid, 2,2-dimethylpropyl ester 2,2,2-trichloroacetic acid 2,2-dimethylpropyl ester 2,2-Dimethylpropyl 2,2,2-trichloroacetate 2,2-Dimethylpropyl 2,2,2-tris(chloranyl)ethanoate
CAS Registry Number 57392-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11Cl3O2
InChI InChI=1S/C7H11Cl3O2/c1-6(2,3)4-12-5(11)7(8,9)10/h4H2,1-3H3
InChIKey WCORDUWUJLFFJQ-UHFFFAOYSA-N
Molecular Weight 233.522 g/mol
SMILES C(COC(C(Cl)(Cl)Cl)=O)(C)(C)C
SPLASH splash10-0a4i-9100000000-7799e60349eabb8bc1a9
Source of Spectrum NP-5-9950-0
Wiley ID 1105353