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2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-1-(methylsulfonyl)-1H-indole
SpectraBase Compound ID 5RWjmRrg34U
InChI InChI=1S/C18H16N4O2S/c1-25(23,24)22-17-10-6-5-9-15(17)11-18(22)16-13-21(20-19-16)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3
InChIKey SFILNRDUKQJWRE-UHFFFAOYSA-N
Mol Weight 352.41 g/mol
Molecular Formula C18H16N4O2S
Exact Mass 352.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vxbYXRN9S4
Name 2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-1-(methylsulfonyl)-1H-indole
Appearance Colorless yellow solid
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Exact Mass 352.099396943 u
Formula C18H16N4O2S
InChI InChI=1S/C18H16N4O2S/c1-25(23,24)22-17-10-6-5-9-15(17)11-18(22)16-13-21(20-19-16)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3
InChIKey SFILNRDUKQJWRE-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801632
Molecular Weight 352.412 g/mol
Quality 449
SMILES C1=CC2=C(C=C1)N(C(=C2)C=1N=NN(C1)CC1=CC=CC=C1)S(C)(=O)=O
SPLASH splash10-0f6y-4392000000-02f898a174d51d0c62a7
Source of Spectrum QE-24-SM17-1n (DOI: 10.1002/chem.201801632)
Wiley ID 1901581