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1,2-HYDROXY-9,10-DIMETHOXY-4,5,6,7,12,13-HEXAHYDROTHIENO-[3,2-C]-[3]-BENZAZECINE-5-CARBONITRILE
SpectraBase Compound ID 2gvDTKIsjb4
InChI InChI=1S/C18H20N2O3S/c1-22-16-7-12-3-5-20(11-19)10-13-4-6-24-18(13)9-15(21)14(12)8-17(16)23-2/h4,6-8,15,21H,3,5,9-10H2,1-2H3
InChIKey LTAYEKHWDLJHCL-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C18H20N2O3S
Exact Mass 344.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40GfFx8jzDl
Name Thieno[3,2-e][3]benzazecine-5(4H)-carbonitrile, 6,7,12,13-tetrahydro-12-hydroxy-9,10-dimethoxy-, (.+-.)-
CAS Registry Number 115996-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O3S
InChI InChI=1S/C18H20N2O3S/c1-22-16-7-12-3-5-20(11-19)10-13-4-6-24-18(13)9-15(21)14(12)8-17(16)23-2/h4,6-8,15,21H,3,5,9-10H2,1-2H3
InChIKey LTAYEKHWDLJHCL-UHFFFAOYSA-N
Molecular Weight 344.429 g/mol
SMILES OC1c2cc(OC)c(cc2CCN(C#N)Cc2c(C1)scc2)OC
SPLASH splash10-03xu-0911000000-410a47e8cd0b729bcdda
Source of Spectrum B-41-121-15
Synonyms 12-Hydroxy-9,10-dimethoxy-6,7,12,13-tetrahydrothieno[3,2-e][3]benzazecine-5(4H)-carbonitrile 5-cyano-9,10-dimethoxy-4,5,6,7,12,13-hexahydrothieno[3,2-e][3]benzazecin-12-ol
Wiley ID 1337825