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6-Phenylbenzo[b]benzo[4,5]thio[3,2-g]benzothiophene

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

6-Phenylbenzo[b]benzo[4,5]thio[3,2-g]benzothiophene
SpectraBase Compound ID 6MCIgmQ4Jm5
InChI InChI=1S/C24H14S2/c1-2-8-15(9-3-1)18-14-19-16-10-4-6-12-20(16)25-23(19)24-22(18)17-11-5-7-13-21(17)26-24/h1-14H
InChIKey QRTNRILDTMNXJQ-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C24H14S2
Exact Mass 366.053693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5p1r4jJ0lIL
Name 6-Phenylbenzo[B]benzo[4,5]thio[3,2-G]benzothiophene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.053692799 u
Formula C24H14S2
InChI InChI=1S/C24H14S2/c1-2-8-15(9-3-1)18-14-19-16-10-4-6-12-20(16)25-23(19)24-22(18)17-11-5-7-13-21(17)26-24/h1-14H
InChIKey QRTNRILDTMNXJQ-UHFFFAOYSA-N
Molecular Weight 366.496 g/mol
SMILES C=12C(C=3C(S2)=C2C(=C(C3)C=3C=CC=CC3)C3=C(S2)C=CC=C3)=CC=CC1