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Propanedioic acid, [1-(1-phenyl-1-propenyl)pentyl]-, dimethyl ester
SpectraBase Compound ID FfJzUkrhAQ0
InChI InChI=1S/C19H26O4/c1-5-7-13-16(17(18(20)22-3)19(21)23-4)15(6-2)14-11-9-8-10-12-14/h6,8-12,16-17H,5,7,13H2,1-4H3/b15-6+
InChIKey YYYVAIMLAGFXAJ-GIDUJCDVSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IL0LLQXnWOC
Name Propanedioic acid, [1-(1-phenyl-1-propenyl)pentyl]-, dimethyl ester
Alternate Name(s) Dimethyl 2-[(2Z)-1-butyl-2-phenyl-2-butenyl]malonate Dimethyl 3-phenyl-2-octen-4-ylmalonate
CAS Registry Number 109239-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-5-7-13-16(17(18(20)22-3)19(21)23-4)15(6-2)14-11-9-8-10-12-14/h6,8-12,16-17H,5,7,13H2,1-4H3/b15-6+
InChIKey YYYVAIMLAGFXAJ-GIDUJCDVSA-N
Molecular Weight 318.413 g/mol
SMILES C(C(\C(c1ccccc1)=C\C)CCCC)(C(=O)OC)C(=O)OC
SPLASH splash10-0006-6900000000-42bdd16be44db6670779
Source of Spectrum F-44-5819-9
Wiley ID 1318629