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2,2-Bis(chloromethyl)propionic acid

View entire compound with spectra: 5 NMR, 2 FTIR, 1 Raman, and 4 MS (GC)

2,2-Bis(chloromethyl)propionic acid
SpectraBase Compound ID FW1ZATvsmbR
InChI InChI=1S/C5H8Cl2O2/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3,(H,8,9)
InChIKey DDSPBKFTRPWDLI-UHFFFAOYSA-N
Mol Weight 171.02 g/mol
Molecular Formula C5H8Cl2O2
Exact Mass 169.990135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28Kyxgldq3q
Name .beta.,.beta.-Dichloropivalic acid
CAS Registry Number 67329-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8Cl2O2
InChI InChI=1S/C5H8Cl2O2/c1-5(2-6,3-7)4(8)9/h2-3H2,1H3,(H,8,9)
InChIKey DDSPBKFTRPWDLI-UHFFFAOYSA-N
Molecular Weight 171.023 g/mol
SMILES OC(C(CCl)(CCl)C)=O
SPLASH splash10-000l-9300000000-f56d87c28ea86c67aa3b
Synonyms Propanoic acid, 2,2-bis(chloromethyl)- Propansaeure, 2,2-bis(chloromethyl)- 3-Chloro-2-(chloromethyl)-2-methylpropanoic acid 3-Chloranyl-2-(chloromethyl)-2-methyl-propanoic acid 3-Chloro-2-(chloromethyl)-2-methyl-propanoic acid 3-Chloro-2-(chloromethyl)-2-methyl-propionic acid Propanoic acid, 3-chloro-2-(chloromethyl)-2-methyl-
Wiley ID 1491209