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1H-Indole, 2-(1,3-dithian-2-yl)-1-(phenylsulfonyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Indole, 2-(1,3-dithian-2-yl)-1-(phenylsulfonyl)-
SpectraBase Compound ID 2X5ZaruYiF8
InChI InChI=1S/C18H17NO2S3/c20-24(21,15-8-2-1-3-9-15)19-16-10-5-4-7-14(16)13-17(19)18-22-11-6-12-23-18/h1-5,7-10,13,18H,6,11-12H2
InChIKey DMUMLKAHECDBKL-UHFFFAOYSA-N
Mol Weight 375.52 g/mol
Molecular Formula C18H17NO2S3
Exact Mass 375.042142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzbUY5n6w82
Name 1H-Indole, 2-(1,3-dithian-2-yl)-1-(phenylsulfonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 375.042142311 u
Formula C18H17NO2S3
InChI InChI=1S/C18H17NO2S3/c20-24(21,15-8-2-1-3-9-15)19-16-10-5-4-7-14(16)13-17(19)18-22-11-6-12-23-18/h1-5,7-10,13,18H,6,11-12H2
InChIKey DMUMLKAHECDBKL-UHFFFAOYSA-N
Molecular Weight 375.519 g/mol
SMILES C=1(S(N2C(=CC3=C2C=CC=C3)C2SCCCS2)(=O)=O)C=CC=CC1