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2-[(5-tert-butyl-2-methoxybenzene)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID AYyvJqADSMv
InChI InChI=1S/C20H25NO3S/c1-20(2,3)17-9-10-18(24-4)19(13-17)25(22,23)21-12-11-15-7-5-6-8-16(15)14-21/h5-10,13H,11-12,14H2,1-4H3
InChIKey WAVTWJUPYXYKDG-UHFFFAOYSA-N
Mol Weight 359.48 g/mol
Molecular Formula C20H25NO3S
Exact Mass 359.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VFKhhy0Z6R
Name 2-[(5-tert-butyl-2-methoxybenzene)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) Isoquinoline, 2-[[5-(1,1-dimethylethyl)-2-methoxyphenyl]sulfonyl]-1,2,3,4-tetrahydro- 2-(5-tert-butyl-2-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
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Formula C20H25NO3S
InChI InChI=1S/C20H25NO3S/c1-20(2,3)17-9-10-18(24-4)19(13-17)25(22,23)21-12-11-15-7-5-6-8-16(15)14-21/h5-10,13H,11-12,14H2,1-4H3
InChIKey WAVTWJUPYXYKDG-UHFFFAOYSA-N
Molecular Weight 359.484 g/mol
SMILES c1cc2CCN(S(c3cc(C(C)(C)C)ccc3OC)(=O)=O)Cc2cc1
SPLASH splash10-001i-3900000000-7e1d082ff42834ff4880
Source of Spectrum IY-2-4999-3
Wiley ID 1657976