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Tritriacontane, 13-decyl-13-heptyl-

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Tritriacontane, 13-decyl-13-heptyl-
SpectraBase Compound ID 48DkbZ9Mp3f
InChI InChI=1S/C50H102/c1-5-9-13-17-20-23-25-26-27-28-29-30-31-32-34-37-41-45-49-50(46-42-38-16-12-8-4,47-43-39-35-22-19-15-11-7-3)48-44-40-36-33-24-21-18-14-10-6-2/h5-49H2,1-4H3
InChIKey JGIVOULLDQGJMA-UHFFFAOYSA-N
Mol Weight 703.4 g/mol
Molecular Formula C50H102
Exact Mass 702.798153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWQkUytXwbf
Name Tritriacontane, 13-decyl-13-heptyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 702.798153284 u
Formula C50H102
InChI InChI=1S/C50H102/c1-5-9-13-17-20-23-25-26-27-28-29-30-31-32-34-37-41-45-49-50(46-42-38-16-12-8-4,47-43-39-35-22-19-15-11-7-3)48-44-40-36-33-24-21-18-14-10-6-2/h5-49H2,1-4H3
InChIKey JGIVOULLDQGJMA-UHFFFAOYSA-N
Molecular Weight 703.366 g/mol
SMILES CCCCCCCCCCCCC(CCCCCCC)(CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC