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Benzo[1,2-b:3,4-b':5,6-b'']tris[1]benzothiophene

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

Benzo[1,2-b:3,4-b':5,6-b'']tris[1]benzothiophene
SpectraBase Compound ID 3qvOBJRKgJK
InChI InChI=1S/C24H12S3/c1-4-10-16-13(7-1)19-22(25-16)20-15-9-3-6-12-18(15)27-24(20)21-14-8-2-5-11-17(14)26-23(19)21/h1-12H
InChIKey OCCAWLBDLIRDGP-UHFFFAOYSA-N
Mol Weight 396.54 g/mol
Molecular Formula C24H12S3
Exact Mass 396.010114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VWcT5UKhzc
Name Benzo[1,2-B:3,4-B':5,6-B'']tris[1]benzothiophene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.010113908 u
Formula C24H12S3
InChI InChI=1S/C24H12S3/c1-4-10-16-13(7-1)19-22(25-16)20-15-9-3-6-12-18(15)27-24(20)21-14-8-2-5-11-17(14)26-23(19)21/h1-12H
InChIKey OCCAWLBDLIRDGP-UHFFFAOYSA-N
Molecular Weight 396.540 g/mol
SMILES C1=2C=CC=CC2SC2=C1C1=C(C=3SC4=C(C23)C=CC=C4)C2=C(S1)C=CC=C2