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1-(Ethoxycarbonyl)-5-chloro-4-methoxy-3-allylpentan-2-one
SpectraBase Compound ID J24t8bXFMyu
InChI InChI=1S/C12H19ClO4/c1-4-6-9(11(8-13)16-3)10(14)7-12(15)17-5-2/h4,9,11H,1,5-8H2,2-3H3
InChIKey FRWGXGHTJHAEIK-UHFFFAOYSA-N
Mol Weight 262.73 g/mol
Molecular Formula C12H19ClO4
Exact Mass 262.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IiJQQuN65Af
Name 1-(Ethoxycarbonyl)-5-chloro-4-methoxy-3-allylpentan-2-one
Alternate Name(s) Ethyl 4-(2-chloro-1-methoxyethyl)-3-oxo-6-heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19ClO4
InChI InChI=1S/C12H19ClO4/c1-4-6-9(11(8-13)16-3)10(14)7-12(15)17-5-2/h4,9,11H,1,5-8H2,2-3H3
InChIKey FRWGXGHTJHAEIK-UHFFFAOYSA-N
Molecular Weight 262.733 g/mol
SMILES C(C(C(C(CCl)OC)CC=C)=O)C(=O)OCC
SPLASH splash10-02t9-0970000000-2f950ab609f485064d21
Source of Spectrum H-2005-2080-3
Wiley ID 1562720