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Heptatriaconta-2-one, 28,29-bis(thiomethyl)-

View entire compound with spectra: 1 NMR

Heptatriaconta-2-one, 28,29-bis(thiomethyl)-
SpectraBase Compound ID 5sh2BzMGLy2
InChI InChI=1S/C39H78OS2/c1-5-6-7-8-29-32-35-38(41-3)39(42-4)36-33-30-27-25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-28-31-34-37(2)40/h38-39H,5-36H2,1-4H3
InChIKey VUVZNCWWAUHPDI-UHFFFAOYSA-N
Mol Weight 627.2 g/mol
Molecular Formula C39H78OS2
Exact Mass 626.549409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nOyRHImATo
Name Heptatriaconta-2-one, 28,29-bis(thiomethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 626.549409479 u
Formula C39H78OS2
InChI InChI=1S/C39H78OS2/c1-5-6-7-8-29-32-35-38(41-3)39(42-4)36-33-30-27-25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-28-31-34-37(2)40/h38-39H,5-36H2,1-4H3
InChIKey VUVZNCWWAUHPDI-UHFFFAOYSA-N
Molecular Weight 627.172 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCC)SC)SC)C(C)=O