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(2E,4E)-1,5-dimethyl-6,7-dihydro-1-benzazonine-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID BaWBplkpuSR
InChI InChI=1S/C18H21NO4/c1-12-9-10-13-7-5-6-8-15(13)19(2)11-14(17(20)22-3)16(12)18(21)23-4/h5-8,11H,9-10H2,1-4H3/b14-11+,16-12+
InChIKey XZCFSIALADRCDR-MHMBTURYSA-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 Bbk4hbVWNpD
Name (2E,4E)-1,5-dimethyl-6,7-dihydro-1-benzazonine-3,4-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl (2E,4E)-1,5-dimethyl-6,7-dihydro-1-benzazonine-3,4-dicarboxylate
CAS Registry Number 128208-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-12-9-10-13-7-5-6-8-15(13)19(2)11-14(17(20)22-3)16(12)18(21)23-4/h5-8,11H,9-10H2,1-4H3/b14-11+,16-12+
InChIKey XZCFSIALADRCDR-MHMBTURYSA-N
Molecular Weight 315.369 g/mol
SMILES c12N(\C=C/(\C(=C/(CCc2cccc1)C)C(=O)OC)C(=O)OC)C
SPLASH splash10-0a5a-0974000000-2a1cb3650671e377e33d
Source of Spectrum Y-26-1720-3
Wiley ID 1316040