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

*Links on SpectraBase are not permalinks.
3-(4-Nitrophenyl)-3-oxo-1-(trichloromethyl)propyl acetate
SpectraBase Compound ID Avq6QPplTn7
InChI InChI=1S/C12H10Cl3NO5/c1-7(17)21-11(12(13,14)15)6-10(18)8-2-4-9(5-3-8)16(19)20/h2-5,11H,6H2,1H3
InChIKey VJYNFHDRZABBIO-UHFFFAOYSA-N
Mol Weight 354.57 g/mol
Molecular Formula C12H10Cl3NO5
Exact Mass 352.962456 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 8z5pYOXa7rt
Name 3-(4-Nitrophenyl)-3-oxo-1-(trichloromethyl)propyl acetate
Alternate Name(s) 2-Acetoxy-1,1,1-trichloro-4-(4-nitrophenyl)-4-butanone Acetic acid [1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl] ester [1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl] acetate [3-(4-nitrophenyl)-3-oxo-1-(trichloromethyl)propyl] acetate [1,1,1-tris(chloranyl)-4-(4-nitrophenyl)-4-oxidanylidene-butan-2-yl] ethanoate
CAS Registry Number 292826-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10Cl3NO5
InChI InChI=1S/C12H10Cl3NO5/c1-7(17)21-11(12(13,14)15)6-10(18)8-2-4-9(5-3-8)16(19)20/h2-5,11H,6H2,1H3
InChIKey VJYNFHDRZABBIO-UHFFFAOYSA-N
Molecular Weight 354.573 g/mol
SMILES c1(ccc(cc1)C(=O)CC(C(Cl)(Cl)Cl)OC(=O)C)N(=O)=O
SPLASH splash10-0f6x-9400000000-e8551f88673ff554692f
Wiley ID 1470667