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7,8-Dimethoxy-3-(2,3-dimethoxybenzyl)-1-(methylthio)-1,2,4,5-tetrahydrobenzazepin-2-one
SpectraBase Compound ID DCZvAA0xQDa
InChI InChI=1S/C22H27NO5S/c1-25-18-8-6-7-15(21(18)28-4)11-16-10-9-14-12-19(26-2)20(27-3)13-17(14)23(29-5)22(16)24/h6-8,12-13,16H,9-11H2,1-5H3
InChIKey VIYJQNJCOKBDLV-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dt9Avwd7JAe
Name 7,8-Dimethoxy-3-(2,3-dimethoxybenzyl)-1-(methylthio)-1,2,4,5-tetrahydrobenzazepin-2-one
Alternate Name(s) 3-(2,3-dimethoxybenzyl)-7,8-dimethoxy-1-(methylsulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO5S
InChI InChI=1S/C22H27NO5S/c1-25-18-8-6-7-15(21(18)28-4)11-16-10-9-14-12-19(26-2)20(27-3)13-17(14)23(29-5)22(16)24/h6-8,12-13,16H,9-11H2,1-5H3
InChIKey VIYJQNJCOKBDLV-UHFFFAOYSA-N
Molecular Weight 417.520 g/mol
SMILES C1(N(c2c(CCC1Cc1c(c(ccc1)OC)OC)cc(c(c2)OC)OC)SC)=O
SPLASH splash10-0fxx-0239200000-52d55fc7a522e5aaad85
Source of Spectrum E2-48-402-8
Wiley ID 1555087