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Dimethyl ester of (E)-[5-(dimethylamino)-3-pentenyl]propanedioic acid
SpectraBase Compound ID 9uH0SGUQ2NE
InChI InChI=1S/C12H21NO4/c1-13(2)9-7-5-6-8-10(11(14)16-3)12(15)17-4/h5,7,10H,6,8-9H2,1-4H3/b7-5+
InChIKey JHDYEASMMSHEIN-FNORWQNLSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PaeZZqR652
Name Dimethyl ester of (E)-[5-(dimethylamino)-3-pentenyl]propanedioic acid
CAS Registry Number 94517-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-13(2)9-7-5-6-8-10(11(14)16-3)12(15)17-4/h5,7,10H,6,8-9H2,1-4H3/b7-5+
InChIKey JHDYEASMMSHEIN-FNORWQNLSA-N
Molecular Weight 243.303 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CC\C=C\CN(C)C
SPLASH splash10-01p9-9180000000-5abd85d89bfad0ff6fb3
Source of Spectrum C-107-2129-0
Synonyms Dimethyl 2-[(3E)-5-(dimethylamino)-3-pentenyl]malonate
Wiley ID 1245951