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(3E,5E)-1-ethyl-2-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID FxV77lxdJ9a
InChI InChI=1S/C18H21NO4/c1-5-16-13-9-7-6-8-12(13)10-14(17(20)22-3)15(11-19(16)2)18(21)23-4/h6-11,16H,5H2,1-4H3/b14-10+,15-11+
InChIKey JQVBHFWZDZPSJH-WFYKWJGLSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo0SI6ekiTs
Name (3E,5E)-1-ethyl-2-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl (3E,5E)-1-ethyl-2-methyl-1H-2-benzazocine-4,5-dicarboxylate
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Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-5-16-13-9-7-6-8-12(13)10-14(17(20)22-3)15(11-19(16)2)18(21)23-4/h6-11,16H,5H2,1-4H3/b14-10+,15-11+
InChIKey JQVBHFWZDZPSJH-WFYKWJGLSA-N
Molecular Weight 315.369 g/mol
SMILES c12\C=C/(\C(=C/N(C(c1cccc2)CC)C)C(=O)OC)C(=O)OC
SPLASH splash10-0ldi-0129000000-b62219fb2a58167b6e23
Source of Spectrum KC-0-1648-5
Wiley ID 784105