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Pentanoic acid, 2,2,2-trichloroethyl ester
SpectraBase Compound ID CK8ZHMt1yym
InChI InChI=1S/C7H11Cl3O2/c1-2-3-4-6(11)12-5-7(8,9)10/h2-5H2,1H3
InChIKey IQMBQFVYGSNNES-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 4rDh3Aj9tF4
Name Pentanoic acid, 2,2,2-trichloroethyl ester
CAS Registry Number 1617-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11Cl3O2
InChI InChI=1S/C7H11Cl3O2/c1-2-3-4-6(11)12-5-7(8,9)10/h2-5H2,1H3
InChIKey IQMBQFVYGSNNES-UHFFFAOYSA-N
Molecular Weight 233.522 g/mol
SMILES C(COC(=O)CCCC)(Cl)(Cl)Cl
SPLASH splash10-06vr-9000000000-89891ecb5986514cc150
Source of Spectrum JC-366-96-38
Synonyms 2,2,2-trichloroethyl pentanoate 2,2,2-tris(chloranyl)ethyl pentanoate Trichloroethyl valerate Pentanoic acid 2,2,2-trichloroethyl ester
Wiley ID 1233151