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7-(4-Fluorophenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine

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7-(4-Fluorophenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine
SpectraBase Compound ID CqT2ZTAL4tX
InChI InChI=1S/C22H16FNS2/c23-15-11-9-14(10-12-15)22-17-13-25-19-7-3-1-5-16(19)21(17)24-18-6-2-4-8-20(18)26-22/h1-12,17,22H,13H2
InChIKey JHIAVJNQHKCIOU-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H16FNS2
Exact Mass 377.07082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXFuk41ypEv
Name 7-(4-Fluorophenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine
Comments Computed using HOSE algorithm
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Exact Mass 377.070820030 u
Formula C22H16FNS2
InChI InChI=1S/C22H16FNS2/c23-15-11-9-14(10-12-15)22-17-13-25-19-7-3-1-5-16(19)21(17)24-18-6-2-4-8-20(18)26-22/h1-12,17,22H,13H2
InChIKey JHIAVJNQHKCIOU-UHFFFAOYSA-N
Molecular Weight 377.495 g/mol
SMILES C12=CC=CC=C2SCC2C1=NC=1C(=CC=CC1)SC2C1=CC=C(C=C1)F