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2-Amino-1,3-bisethoxycarbonyl-6-phenylazulene
SpectraBase Compound ID 90UUzdoyoT1
InChI InChI=1S/C22H21NO4/c1-3-26-21(24)18-16-12-10-15(14-8-6-5-7-9-14)11-13-17(16)19(20(18)23)22(25)27-4-2/h5-13H,3-4,23H2,1-2H3
InChIKey MAFNISRRDOAQHW-UHFFFAOYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C22H21NO4
Exact Mass 363.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEJ1OzDYFTM
Name 2-Amino-1,3-bisethoxycarbonyl-6-phenylazulene
Alternate Name(s) Diethyl 2-amino-6-phenyl-1,3-azulenedicarboxylate
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Formula C22H21NO4
InChI InChI=1S/C22H21NO4/c1-3-26-21(24)18-16-12-10-15(14-8-6-5-7-9-14)11-13-17(16)19(20(18)23)22(25)27-4-2/h5-13H,3-4,23H2,1-2H3
InChIKey MAFNISRRDOAQHW-UHFFFAOYSA-N
Molecular Weight 363.413 g/mol
SMILES Nc1c(c2c(c1C(=O)OCC)ccc(cc2)-c1ccccc1)C(=O)OCC
SPLASH splash10-01ot-0079000000-1f91c5fe67806363f934
Source of Spectrum C5-2002-1015-0
Wiley ID 1614660