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5-(3-Ethoxy-4-methoxy-phenyl)-2-(toluene-4-sulfonyl)-1,2,3,5,6,10b-hexahydro-imidazo[5,1-a]isoquinoline
SpectraBase Compound ID 4xPQXvG1RRk
InChI InChI=1S/C27H30N2O4S/c1-4-33-27-16-21(11-14-26(27)32-3)24-15-20-7-5-6-8-23(20)25-17-28(18-29(24)25)34(30,31)22-12-9-19(2)10-13-22/h5-14,16,24-25H,4,15,17-18H2,1-3H3
InChIKey PMDAOWMZJOWKQK-UHFFFAOYSA-N
Mol Weight 478.61 g/mol
Molecular Formula C27H30N2O4S
Exact Mass 478.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pVeoij3136
Name 5-(3-Ethoxy-4-methoxy-phenyl)-2-(toluene-4-sulfonyl)-1,2,3,5,6,10b-hexahydro-imidazo[5,1-a]isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O4S
InChI InChI=1S/C27H30N2O4S/c1-4-33-27-16-21(11-14-26(27)32-3)24-15-20-7-5-6-8-23(20)25-17-28(18-29(24)25)34(30,31)22-12-9-19(2)10-13-22/h5-14,16,24-25H,4,15,17-18H2,1-3H3
InChIKey PMDAOWMZJOWKQK-UHFFFAOYSA-N
Molecular Weight 478.607 g/mol
SMILES CCOc1cc(C2N3CN(S(c4ccc(cc4)C)(=O)=O)CC3c3c(cccc3)C2)ccc1OC
SPLASH splash10-0006-1911000000-b55d6bded4e9dbf58a94
Synonyms 5-(3-Ethoxy-4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl]-1,2,3,5,6,10b-hexahydroimidazo[5,1-a]isoquinoline
Wiley ID 1464226