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3-Piperidinecarboxylic acid, 1-[3-(3-nitrophenyl)-1-oxo-2-propenyl]-, ethyl ester
SpectraBase Compound ID LMirvn353Np
InChI InChI=1S/C17H20N2O5/c1-2-24-17(21)14-6-4-10-18(12-14)16(20)9-8-13-5-3-7-15(11-13)19(22)23/h3,5,7-9,11,14H,2,4,6,10,12H2,1H3/b9-8+
InChIKey XKIZXWVFIJSNHM-CMDGGOBGSA-N
Mol Weight 332.36 g/mol
Molecular Formula C17H20N2O5
Exact Mass 332.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82gP1EA88TV
Name 3-Piperidinecarboxylic acid, 1-[3-(3-nitrophenyl)-1-oxo-2-propenyl]-, ethyl ester
Alternate Name(s) 1-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester 1-[(E)-3-(3-nitrophenyl)acryloyl]nipecotic acid ethyl ester Ethyl 1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidine-3-carboxylate
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Formula C17H20N2O5
InChI InChI=1S/C17H20N2O5/c1-2-24-17(21)14-6-4-10-18(12-14)16(20)9-8-13-5-3-7-15(11-13)19(22)23/h3,5,7-9,11,14H,2,4,6,10,12H2,1H3/b9-8+
InChIKey XKIZXWVFIJSNHM-CMDGGOBGSA-N
Molecular Weight 332.356 g/mol
SMILES CCOC(C1CN(C(\C=C\c2cc(N(=O)=O)ccc2)=O)CCC1)=O
SPLASH splash10-0a4i-3931000000-9948af7e99f0a3475f54
Wiley ID 1450110