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Butanedioic acid, [[2-[[(dimethylamino)methylene]amino]phenyl]methylene](1H-indol-3-ylmethylene)-, dimethyl ester
SpectraBase Compound ID AW3w1cmigH0
InChI InChI=1S/C25H25N3O4/c1-28(2)16-27-22-11-7-5-9-17(22)13-20(24(29)31-3)21(25(30)32-4)14-18-15-26-23-12-8-6-10-19(18)23/h5-16,26H,1-4H3/b20-13-,21-14-,27-16+
InChIKey DLXIYMQIGAMDAW-IJBSBWSWSA-N
Mol Weight 431.49 g/mol
Molecular Formula C25H25N3O4
Exact Mass 431.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7I8vJ1VdHE3
Name Butanedioic acid, [[2-[[(dimethylamino)methylene]amino]phenyl]methylene](1H-indol-3-ylmethylene)-, dimethyl ester
Alternate Name(s) Dimethyl (2Z,3Z)-2-(2-([(E)-(dimethylamino)methylidene]amino)benzylidene)-3-(1H-indol-3-ylmethylene)butanedioate
CAS Registry Number 36253-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25N3O4
InChI InChI=1S/C25H25N3O4/c1-28(2)16-27-22-11-7-5-9-17(22)13-20(24(29)31-3)21(25(30)32-4)14-18-15-26-23-12-8-6-10-19(18)23/h5-16,26H,1-4H3/b20-13-,21-14-,27-16+
InChIKey DLXIYMQIGAMDAW-IJBSBWSWSA-N
Molecular Weight 431.492 g/mol
SMILES [nH]1c2ccccc2c(c1)\C=C/(C(OC)=O)\C(=C\c1ccccc1\N=C\N(C)C)C(=O)OC
SPLASH splash10-002r-0926200000-838bee148c9d42f34173
Source of Spectrum W5-34887-30649-30649
Wiley ID 1381996