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Benzothiazole, 6-(2,3-dihydroindole-1-sulfonyl)-2-methylsulfanyl-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Benzothiazole, 6-(2,3-dihydroindole-1-sulfonyl)-2-methylsulfanyl-
SpectraBase Compound ID 8T6wIUSllx4
InChI InChI=1S/C16H14N2O2S3/c1-21-16-17-13-7-6-12(10-15(13)22-16)23(19,20)18-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3
InChIKey YFELYUVLVKZMQX-UHFFFAOYSA-N
Mol Weight 362.48 g/mol
Molecular Formula C16H14N2O2S3
Exact Mass 362.021741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCAqRvLQKCK
Name Benzothiazole, 6-(2,3-dihydroindole-1-sulfonyl)-2-methylsulfanyl-
Comments Computed using HOSE algorithm
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Exact Mass 362.021741219 u
Formula C16H14N2O2S3
InChI InChI=1S/C16H14N2O2S3/c1-21-16-17-13-7-6-12(10-15(13)22-16)23(19,20)18-9-8-11-4-2-3-5-14(11)18/h2-7,10H,8-9H2,1H3
InChIKey YFELYUVLVKZMQX-UHFFFAOYSA-N
Molecular Weight 362.480 g/mol
SMILES C12=CC=C(C=C2SC(=N1)SC)S(=O)(=O)N1C2=C(C=CC=C2)CC1