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4H-Dithieno[2,3-b:3',2'-f]azepine-2,7-dicarboxylic acid, 5,9-dihydro-9-(phenylmethyl)-, diethyl ester
SpectraBase Compound ID FiJcQDWwW6c
InChI InChI=1S/C23H23NO4S2/c1-3-27-22(25)18-12-16-10-11-17-13-19(23(26)28-4-2)30-21(17)24(20(16)29-18)14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKey MBAIVZPGVWYGIJ-UHFFFAOYSA-N
Mol Weight 441.56 g/mol
Molecular Formula C23H23NO4S2
Exact Mass 441.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUoqU3TlJzz
Name 4H-Dithieno[2,3-b:3',2'-f]azepine-2,7-dicarboxylic acid, 5,9-dihydro-9-(phenylmethyl)-, diethyl ester
Alternate Name(s) Diethyl 9-benzyl-4,5-dihydro-9H-dithieno[2,3-b:3',2'-f]azepine-2,7-dicarboxylate Diethyl 9-benzyl-5,9-dihydro-4H-dithieno[2,3-b:3,2-f]azepine-2,7-dicarboxylate
CAS Registry Number 126799-05-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO4S2
InChI InChI=1S/C23H23NO4S2/c1-3-27-22(25)18-12-16-10-11-17-13-19(23(26)28-4-2)30-21(17)24(20(16)29-18)14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKey MBAIVZPGVWYGIJ-UHFFFAOYSA-N
Molecular Weight 441.560 g/mol
SMILES c12N(c3c(CCc1cc(s2)C(=O)OCC)cc(s3)C(=O)OCC)Cc1ccccc1
SPLASH splash10-0udi-1009300000-1641e8efac6ca107d457
Source of Spectrum KC-1989-2097-8
Wiley ID 1385048