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2-Benzyl-7,8-dimethoxy-4-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
SpectraBase Compound ID 1lOD0rNYt0N
InChI InChI=1S/C26H29NO4S/c1-19-9-11-23(12-10-19)32(28,29)24-13-21-14-25(30-2)26(31-3)15-22(21)17-27(18-24)16-20-7-5-4-6-8-20/h4-12,14-15,24H,13,16-18H2,1-3H3
InChIKey KZMCJZIRSSSQIM-UHFFFAOYSA-N
Mol Weight 451.58 g/mol
Molecular Formula C26H29NO4S
Exact Mass 451.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmgVpYEDs58
Name 2-Benzyl-7,8-dimethoxy-4-(4-methylphenyl)sulfonyl-1,3,4,5-tetrahydro-2-benzazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO4S
InChI InChI=1S/C26H29NO4S/c1-19-9-11-23(12-10-19)32(28,29)24-13-21-14-25(30-2)26(31-3)15-22(21)17-27(18-24)16-20-7-5-4-6-8-20/h4-12,14-15,24H,13,16-18H2,1-3H3
InChIKey KZMCJZIRSSSQIM-UHFFFAOYSA-N
Molecular Weight 451.581 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)Cc2c(cc(c(c2)OC)OC)CN(C1)Cc1ccccc1
SPLASH splash10-0006-9000000000-2e400797391758829445
Source of Spectrum F-53-4808-13
Synonyms 2-Benzyl-7,8-dimethoxy-4-(p-tolylsulfonyl)-1,3,4,5-tetrahydro-2-benzazepine 2-Benzyl-7,8-dimethoxy-4-tosyl-1,3,4,5-tetrahydro-2-benzazepine 7,8-Dimethoxy-4-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1,3,4,5-tetrahydro-2-benzazepine
Wiley ID 801613