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Dimethyl ester of (E)-[6-(dimethylamino)-4-hexenyl]propanedioic acid
SpectraBase Compound ID 8f5zvG8IHVt
InChI InChI=1S/C13H23NO4/c1-14(2)10-8-6-5-7-9-11(12(15)17-3)13(16)18-4/h6,8,11H,5,7,9-10H2,1-4H3/b8-6+
InChIKey KKPZYDOCIFDHMR-SOFGYWHQSA-N
Mol Weight 257.33 g/mol
Molecular Formula C13H23NO4
Exact Mass 257.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99GbxHaSEgu
Name Dimethyl ester of (E)-[6-(dimethylamino)-4-hexenyl]propanedioic acid
Alternate Name(s) Dimethyl 2-[(4E)-6-(dimethylamino)-4-hexenyl]malonate
CAS Registry Number 94517-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO4
InChI InChI=1S/C13H23NO4/c1-14(2)10-8-6-5-7-9-11(12(15)17-3)13(16)18-4/h6,8,11H,5,7,9-10H2,1-4H3/b8-6+
InChIKey KKPZYDOCIFDHMR-SOFGYWHQSA-N
Molecular Weight 257.330 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CCC\C=C\CN(C)C
SPLASH splash10-000i-9060000000-2f60aeea93479afdc618
Source of Spectrum C-107-2129-0
Wiley ID 1260713