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Diethyl E-3-ethoxycarbonyl-4-[(Z)-1,3,4,5,6,7-hexahydroazepin-2-ylidene)-2-pentenedioate
SpectraBase Compound ID OLCfQ3ifsy
InChI InChI=1S/C18H27NO6/c1-4-23-15(20)12-13(17(21)24-5-2)16(18(22)25-6-3)14-10-8-7-9-11-19-14/h12,19H,4-11H2,1-3H3/b13-12+,16-14-
InChIKey SPFGKXNJRHWBMT-LIACPWMRSA-N
Mol Weight 353.42 g/mol
Molecular Formula C18H27NO6
Exact Mass 353.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1zqgNSDfTQ
Name Diethyl E-3-ethoxycarbonyl-4-[(Z)-1,3,4,5,6,7-hexahydroazepin-2-ylidene)-2-pentenedioate
Alternate Name(s) Triethyl (1E,3Z)-3-hexahydro-2H-azepin-2-ylidene-1-propene-1,2,3-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO6
InChI InChI=1S/C18H27NO6/c1-4-23-15(20)12-13(17(21)24-5-2)16(18(22)25-6-3)14-10-8-7-9-11-19-14/h12,19H,4-11H2,1-3H3/b13-12+,16-14-
InChIKey SPFGKXNJRHWBMT-LIACPWMRSA-N
Molecular Weight 353.415 g/mol
SMILES N1CCCCC\C1=C\(\C(=C/C(=O)OCC)C(=O)OCC)C(=O)OCC
SPLASH splash10-001i-0093000000-d4da0bd7b3e1ba7e3f2b
Source of Spectrum F-55-14621-15
Wiley ID 840157