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2-Butyl-1-(methylsulfonyl)-1H-indole
SpectraBase Compound ID I7mDwqrzLwe
InChI InChI=1S/C13H17NO2S/c1-3-4-8-12-10-11-7-5-6-9-13(11)14(12)17(2,15)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKey QWEBFMDHKFYXOG-UHFFFAOYSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XmVCHm3Jj3
Name 2-Butyl-1-(methylsulfonyl)-1H-indole
Alternate Name(s) 2-Butyl-1-mesyl-indole 2-Butyl-1-methylsulfonyl-indole 2-Butyl-1-methylsulfonylindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-3-4-8-12-10-11-7-5-6-9-13(11)14(12)17(2,15)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKey QWEBFMDHKFYXOG-UHFFFAOYSA-N
Molecular Weight 251.344 g/mol
SMILES c1([n](c2ccccc2c1)S(=O)(=O)C)CCCC
SPLASH splash10-001i-0970000000-5c3b9ec097500f9e84bd
Source of Spectrum E2-51-1172-2
Wiley ID 1556288