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

View entire compound with spectra: 1 NMR

7-(4-Methylphenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine
SpectraBase Compound ID 8ylLRBtL963
InChI InChI=1S/C23H19NS2/c1-15-10-12-16(13-11-15)23-18-14-25-20-8-4-2-6-17(20)22(18)24-19-7-3-5-9-21(19)26-23/h2-13,18,23H,14H2,1H3
InChIKey KLKAXPKRJXGJAH-UHFFFAOYSA-N
Mol Weight 373.53 g/mol
Molecular Formula C23H19NS2
Exact Mass 373.095892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7s6fQi3R0P
Name 7-(4-Methylphenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.095891964 u
Formula C23H19NS2
InChI InChI=1S/C23H19NS2/c1-15-10-12-16(13-11-15)23-18-14-25-20-8-4-2-6-17(20)22(18)24-19-7-3-5-9-21(19)26-23/h2-13,18,23H,14H2,1H3
InChIKey KLKAXPKRJXGJAH-UHFFFAOYSA-N
Molecular Weight 373.532 g/mol
SMILES C12=CC=CC=C2N=C2C3=CC=CC=C3SCC2C(C2=CC=C(C=C2)C)S1