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3,7,15,19-Tetrathiatricyclo[19.3.1.1(9,13)]hexacosa-1(25),9,11,13(26),21,23-hexaene

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3,7,15,19-Tetrathiatricyclo[19.3.1.1(9,13)]hexacosa-1(25),9,11,13(26),21,23-hexaene
SpectraBase Compound ID 1ch5Po22reR
InChI InChI=1S/C22H28S4/c1-5-19-13-20(6-1)16-24-10-4-12-26-18-22-8-2-7-21(14-22)17-25-11-3-9-23-15-19/h1-2,5-8,13-14H,3-4,9-12,15-18H2
InChIKey MUFBCKHHBIEYFL-UHFFFAOYSA-N
Mol Weight 420.7 g/mol
Molecular Formula C22H28S4
Exact Mass 420.107386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HS2AYYnx59Y
Name 3,7,15,19-Tetrathiatricyclo[19.3.1.1(9,13)]hexacosa-1(25),9,11,13(26),21,23-hexaene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.107385598 u
Formula C22H28S4
InChI InChI=1S/C22H28S4/c1-5-19-13-20(6-1)16-24-10-4-12-26-18-22-8-2-7-21(14-22)17-25-11-3-9-23-15-19/h1-2,5-8,13-14H,3-4,9-12,15-18H2
InChIKey MUFBCKHHBIEYFL-UHFFFAOYSA-N
Molecular Weight 420.706 g/mol
SMILES C1C2=CC=CC(CSCCCSCC=3C=C(CSCCCS1)C=CC3)=C2