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4-[3-(dimethylamino)propyl]-4H-thieno[3,2-b][1]benzazepine, fumarate (1:1)
SpectraBase Compound ID 2KtYHN8i5Q7
InChI InChI=1S/C17H20N2S.C4H4O4/c1-18(2)11-5-12-19-15-7-4-3-6-14(15)8-9-17-16(19)10-13-20-17;5-3(6)1-2-4(7)8/h3-4,6-10,13H,5,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey IFLSTCGIWGZRTR-WLHGVMLRSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID I9qKXDgLnpX
Name 4-[3-(DIMETHYLAMINO)PROPYL]-4H-THIENO[3,2-b][1]BENZAZEPINE, FUMARATE (1:1)
Source of Sample L. NEDELEC, ROUSSEL-UCLAF RESEARCH CENTER, ROMAINVILLE, FRANCE
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O4S
InChI InChI=1S/C17H20N2S.C4H4O4/c1-18(2)11-5-12-19-15-7-4-3-6-14(15)8-9-17-16(19)10-13-20-17;5-3(6)1-2-4(7)8/h3-4,6-10,13H,5,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey IFLSTCGIWGZRTR-WLHGVMLRSA-N
Literature Reference HETEROCYCLES 15, 1227(1981) Abstract-Chemical Abstracts= 95, 7107(1981)
Melting Point 170-172C
Molecular Weight 400.493011
Synonyms 4H-THIENO/3,2-B//1/BENZAZEPINE, 4-/3-/DIMETHYLAMINO/PROPYL/-, FUMARATE /1 TO 1/
Technique KBr WAFER