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4H-Dithieno[2,3-b:3',2'-f]azepine-2,7-dicarboxylic acid, 5,9-dihydro-9-phenyl-, diethyl ester
SpectraBase Compound ID LGSG3UZ79rb
InChI InChI=1S/C22H21NO4S2/c1-3-26-21(24)17-12-14-10-11-15-13-18(22(25)27-4-2)29-20(15)23(19(14)28-17)16-8-6-5-7-9-16/h5-9,12-13H,3-4,10-11H2,1-2H3
InChIKey IIVMPXTYTGHASI-UHFFFAOYSA-N
Mol Weight 427.53 g/mol
Molecular Formula C22H21NO4S2
Exact Mass 427.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wBVVLW9hEi
Name 4H-Dithieno[2,3-b:3',2'-f]azepine-2,7-dicarboxylic acid, 5,9-dihydro-9-phenyl-, diethyl ester
Alternate Name(s) Diethyl 9-phenyl-4,5-dihydro-9H-dithieno[2,3-b:3',2'-f]azepine-2,7-dicarboxylate Diethyl 9-phenyl-5,9-dihydro-4H-dithieno[2,3-b:3,2-f]azepine-2,7-dicarboxylate
CAS Registry Number 126799-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO4S2
InChI InChI=1S/C22H21NO4S2/c1-3-26-21(24)17-12-14-10-11-15-13-18(22(25)27-4-2)29-20(15)23(19(14)28-17)16-8-6-5-7-9-16/h5-9,12-13H,3-4,10-11H2,1-2H3
InChIKey IIVMPXTYTGHASI-UHFFFAOYSA-N
Molecular Weight 427.533 g/mol
SMILES c12N(c3sc(C(=O)OCC)cc3CCc1cc(s2)C(=O)OCC)c1ccccc1
SPLASH splash10-004i-0001900000-803dfe0651b221c9d447
Source of Spectrum KC-1989-2097-8
Wiley ID 1380370