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1-(Ethoxycarbonyl)-5-chloro-4-methoxy-3-octylpentan-2-one
SpectraBase Compound ID 6hWXnWB3E7G
InChI InChI=1S/C17H31ClO4/c1-4-6-7-8-9-10-11-14(16(13-18)21-3)15(19)12-17(20)22-5-2/h14,16H,4-13H2,1-3H3
InChIKey NUTLYPXFWZDLDW-UHFFFAOYSA-N
Mol Weight 334.88 g/mol
Molecular Formula C17H31ClO4
Exact Mass 334.191087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bil9mu4EERl
Name 1-(Ethoxycarbonyl)-5-chloro-4-methoxy-3-octylpentan-2-one
Alternate Name(s) Ethyl 4-(2-chloro-1-methoxyethyl)-3-oxododecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31ClO4
InChI InChI=1S/C17H31ClO4/c1-4-6-7-8-9-10-11-14(16(13-18)21-3)15(19)12-17(20)22-5-2/h14,16H,4-13H2,1-3H3
InChIKey NUTLYPXFWZDLDW-UHFFFAOYSA-N
Molecular Weight 334.884 g/mol
SMILES C(C(C(C(CCl)OC)CCCCCCCC)=O)C(=O)OCC
SPLASH splash10-000i-0090000000-868fd4e8e8084325eadd
Source of Spectrum H-2005-2080-3
Wiley ID 1562778