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2-[(Heptyl-methyl-carbamoyl)-methyl]-malonic acid, diethyl ester
SpectraBase Compound ID 8ob2Q9ek8o4
InChI InChI=1S/C17H31NO5/c1-5-8-9-10-11-12-18(4)15(19)13-14(16(20)22-6-2)17(21)23-7-3/h14H,5-13H2,1-4H3
InChIKey JRIIAPKMYOPMMK-UHFFFAOYSA-N
Mol Weight 329.44 g/mol
Molecular Formula C17H31NO5
Exact Mass 329.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H45XC2j2eqn
Name 2-[(Heptyl-methyl-carbamoyl)-methyl]-malonic acid, diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31NO5
InChI InChI=1S/C17H31NO5/c1-5-8-9-10-11-12-18(4)15(19)13-14(16(20)22-6-2)17(21)23-7-3/h14H,5-13H2,1-4H3
InChIKey JRIIAPKMYOPMMK-UHFFFAOYSA-N
Molecular Weight 329.437 g/mol
SMILES CN(CCCCCCC)C(=O)CC(C(=O)OCC)C(=O)OCC
SPLASH splash10-0kou-8960000000-d7b49d9817b3bcb2d951
Synonyms 2-[2-[heptyl(methyl)amino]-2-keto-ethyl]malonic acid diethyl ester 2-[2-[heptyl(methyl)amino]-2-oxoethyl]propanedioic acid diethyl ester Diethyl 2-(2-[heptyl(methyl)amino]-2-oxoethyl)malonate Diethyl 2-[2-[heptyl(methyl)amino]-2-oxidanylidene-ethyl]propanedioate Diethyl 2-[2-[heptyl(methyl)amino]-2-oxo-ethyl]propanedioate
Wiley ID 1480367