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4H-Dithieno[2,3-b:3',2'-f]azepine-2,7-dicarboxylic acid, 9-(2-ethoxy-2-oxoethyl)-5,9-dihydro-, diethyl ester
SpectraBase Compound ID E8ID0A9vl9r
InChI InChI=1S/C20H23NO6S2/c1-4-25-16(22)11-21-17-12(9-14(28-17)19(23)26-5-2)7-8-13-10-15(29-18(13)21)20(24)27-6-3/h9-10H,4-8,11H2,1-3H3
InChIKey PYSAVNJVCISFKK-UHFFFAOYSA-N
Mol Weight 437.53 g/mol
Molecular Formula C20H23NO6S2
Exact Mass 437.09668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2h6HdXZswfU
Name 4H-Dithieno[2,3-b:3',2'-f]azepine-2,7-dicarboxylic acid, 9-(2-ethoxy-2-oxoethyl)-5,9-dihydro-, diethyl ester
CAS Registry Number 126799-06-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO6S2
InChI InChI=1S/C20H23NO6S2/c1-4-25-16(22)11-21-17-12(9-14(28-17)19(23)26-5-2)7-8-13-10-15(29-18(13)21)20(24)27-6-3/h9-10H,4-8,11H2,1-3H3
InChIKey PYSAVNJVCISFKK-UHFFFAOYSA-N
Molecular Weight 437.525 g/mol
SMILES c12N(c3c(CCc1cc(s2)C(=O)OCC)cc(s3)C(=O)OCC)CC(=O)OCC
SPLASH splash10-000i-0003900000-22c89d9c5b65a457030c
Source of Spectrum KC-1989-2097-8
Synonyms Diethyl 9-(2-ethoxy-2-oxoethyl)-5,9-dihydro-4H-dithieno[2,3-b:3,2-f]azepine-2,7-dicarboxylate Diethyl 9-ethoxycarbonylmethyl-4,5-dihydro-9H-dithieno-[2,3-b:3',2'-f]azepine-2,7-dicarboxylate
Wiley ID 1383753