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cis-2-Ethyl-4-( 2'-dimethylaminoethyl)-6,7-dihydro-6-hydroxy-7-( 4'-methoxyphenyl)thieno[2,3-b][1,4]thiazepin-5(4H)-one
SpectraBase Compound ID FZPZkRIhx0l
InChI InChI=1S/C20H26N2O3S2/c1-5-15-12-16-20(26-15)27-18(13-6-8-14(25-4)9-7-13)17(23)19(24)22(16)11-10-21(2)3/h6-9,12,17-18,23H,5,10-11H2,1-4H3
InChIKey LAOYGZMTRNQBCB-UHFFFAOYSA-N
Mol Weight 406.56 g/mol
Molecular Formula C20H26N2O3S2
Exact Mass 406.138485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2fZSMpUnuy
Name cis-2-Ethyl-4-( 2'-dimethylaminoethyl)-6,7-dihydro-6-hydroxy-7-( 4'-methoxyphenyl)thieno[2,3-b][1,4]thiazepin-5(4H)-one
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O3S2
InChI InChI=1S/C20H26N2O3S2/c1-5-15-12-16-20(26-15)27-18(13-6-8-14(25-4)9-7-13)17(23)19(24)22(16)11-10-21(2)3/h6-9,12,17-18,23H,5,10-11H2,1-4H3
InChIKey LAOYGZMTRNQBCB-UHFFFAOYSA-N
Molecular Weight 406.559 g/mol
SMILES OC1C(Sc2c(N(C1=O)CCN(C)C)cc(s2)CC)c1ccc(cc1)OC
SPLASH splash10-0a4i-9000000000-60b740ef5de706d28b6f
Source of Spectrum AH-126-577-25
Synonyms 4-[2-(dimethylamino)ethyl]-2-ethyl-6-hydroxy-7-(4-methoxyphenyl)-6,7-dihydrothieno[2,3-b][1,4]thiazepin-5(4H)-one
Wiley ID 1372051