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Octatetracontane, 1-iodo-

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

Octatetracontane, 1-iodo-
SpectraBase Compound ID BO1lGTkf0Ch
InChI InChI=1S/C48H97I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49/h2-48H2,1H3
InChIKey CJJRIMCQNGDXEG-UHFFFAOYSA-N
Mol Weight 801.2 g/mol
Molecular Formula C48H97I
Exact Mass 800.663498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GorIvKktYgd
Name Octatetracontane, 1-iodo-
Comments Computed using HOSE algorithm
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Exact Mass 800.663498123 u
Formula C48H97I
InChI InChI=1S/C48H97I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49/h2-48H2,1H3
InChIKey CJJRIMCQNGDXEG-UHFFFAOYSA-N
Molecular Weight 801.208 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCI)CCCCCCCCCCCCCCCCCCCCCCC