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13-Dodecyl-13-tetratriacontanol

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13-Dodecyl-13-tetratriacontanol
SpectraBase Compound ID IXY2M5dszTL
InChI InChI=1S/C46H94O/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-33-36-39-42-45-46(47,43-40-37-34-31-20-17-14-11-8-5-2)44-41-38-35-32-21-18-15-12-9-6-3/h47H,4-45H2,1-3H3
InChIKey GBTICQIAJZMZKV-UHFFFAOYSA-N
Mol Weight 663.3 g/mol
Molecular Formula C46H94O
Exact Mass 662.730468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmRsNPdnwLf
Name 13-Dodecyl-13-tetratriacontanol
Comments Computed using HOSE algorithm
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Exact Mass 662.730467646 u
Formula C46H94O
InChI InChI=1S/C46H94O/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-33-36-39-42-45-46(47,43-40-37-34-31-20-17-14-11-8-5-2)44-41-38-35-32-21-18-15-12-9-6-3/h47H,4-45H2,1-3H3
InChIKey GBTICQIAJZMZKV-UHFFFAOYSA-N
Molecular Weight 663.257 g/mol
SMILES OC(CCCCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC