For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,1,1-Trichloropent-(E)-3-en-2-one
SpectraBase Compound ID CmphTqTdXvt
InChI InChI=1S/C5H5Cl3O/c1-2-3-4(9)5(6,7)8/h2-3H,1H3/b3-2+
InChIKey ZHGBODOOUWEBSI-NSCUHMNNSA-N
Mol Weight 187.45 g/mol
Molecular Formula C5H5Cl3O
Exact Mass 185.940598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6JwCIkqHTuL
Name 1,1,1-Trichloropent-(E)-3-en-2-one
Alternate Name(s) (E)-1,1,1-trichloropent-3-en-2-one (E)-1,1,1-trichloro-3-penten-2-one (E)-1,1,1-tris(chloranyl)pent-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5Cl3O
InChI InChI=1S/C5H5Cl3O/c1-2-3-4(9)5(6,7)8/h2-3H,1H3/b3-2+
InChIKey ZHGBODOOUWEBSI-NSCUHMNNSA-N
Literature Reference DOI 10.1002/adsc.200900041
Molecular Weight 187.453 g/mol
SMILES C(C(\C=C\C)=O)(Cl)(Cl)Cl
SPLASH splash10-0100-1900000000-20055d807e3c317f8ef1
Source of Spectrum ASC-351-1685/SM14-3i
Wiley ID 1763215