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5-(Benzyloxy)-1-(tert-butoxycarbonyl)-3-methyl-2-(methylsulfenyl)indole
SpectraBase Compound ID IARnGBnVUEv
InChI InChI=1S/C22H25NO3S/c1-15-18-13-17(25-14-16-9-7-6-8-10-16)11-12-19(18)23(20(15)27-5)21(24)26-22(2,3)4/h6-13H,14H2,1-5H3
InChIKey NHPJNHBVUJQALG-UHFFFAOYSA-N
Mol Weight 383.51 g/mol
Molecular Formula C22H25NO3S
Exact Mass 383.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWOhHgz6Qs0
Name 5-(Benzyloxy)-1-(tert-butoxycarbonyl)-3-methyl-2-(methylsulfenyl)indole
Alternate Name(s) tert-Butyl 5-(benzyloxy)-3-methyl-2-(methylsulfanyl)-1H-indole-1-carboxylate
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Formula C22H25NO3S
InChI InChI=1S/C22H25NO3S/c1-15-18-13-17(25-14-16-9-7-6-8-10-16)11-12-19(18)23(20(15)27-5)21(24)26-22(2,3)4/h6-13H,14H2,1-5H3
InChIKey NHPJNHBVUJQALG-UHFFFAOYSA-N
Molecular Weight 383.506 g/mol
SMILES c1([n](c2c(c1C)cc(cc2)OCc1ccccc1)C(OC(C)(C)C)=O)SC
SPLASH splash10-0006-9733000000-36cf1d2775cf7758a763
Source of Spectrum C-114-5569-21
Wiley ID 1361110