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14H-1,9:10,18-Bis(methanothiomethano)-19,23-metheno-5H-tribenzo[c,h,o][1,6]dithiacycloheptadecin, 7,12-dihydro-
SpectraBase Compound ID 6ADF15vL4eH
InChI InChI=1S/C32H28S4/c1-4-21-10-22(5-1)32-25-8-3-9-26(32)16-36-20-30-12-29(19-35-15-25)27-11-28(30)18-34-14-24-7-2-6-23(31(21)24)13-33-17-27/h1-12H,13-20H2
InChIKey LYDVUFSLZUIUIF-UHFFFAOYSA-N
Mol Weight 540.8 g/mol
Molecular Formula C32H28S4
Exact Mass 540.107386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lesL3TTv7y
Name 14H-1,9:10,18-bis(Methanothiomethano)-19,23-metheno-5H-tribenzo[C,H,o][1,6]dithiacycloheptadecin, 7,12-dihydro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.107385598 u
Formula C32H28S4
InChI InChI=1S/C32H28S4/c1-4-21-10-22(5-1)32-25-8-3-9-26(32)16-36-20-30-12-29(19-35-15-25)27-11-28(30)18-34-14-24-7-2-6-23(31(21)24)13-33-17-27/h1-12H,13-20H2
InChIKey LYDVUFSLZUIUIF-UHFFFAOYSA-N
Molecular Weight 540.816 g/mol
SMILES C1=2C=3C=4CSCC=5C=6CSCC=7C(C(C2)=CC=C1)=C(CSCC(=C(CSCC3C=CC4)C5)C6)C=CC7