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Z-27-Hexatriaconten-2-one

View entire compound with spectra: 1 NMR

Z-27-Hexatriaconten-2-one
SpectraBase Compound ID HyCrYeSOxzw
InChI InChI=1S/C36H70O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(2)37/h10-11H,3-9,12-35H2,1-2H3/b11-10+
InChIKey GQIPOYUGFQNNRJ-ZHACJKMWSA-N
Mol Weight 519.0 g/mol
Molecular Formula C36H70O
Exact Mass 518.542667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFvIQXzY89l
Name Z-27-Hexatriaconten-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.542666873 u
Formula C36H70O
InChI InChI=1S/C36H70O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(2)37/h10-11H,3-9,12-35H2,1-2H3/b11-10+
InChIKey GQIPOYUGFQNNRJ-ZHACJKMWSA-N
Molecular Weight 518.955 g/mol
SMILES C(CCC\C=C\CCCCCCCCCCCCCCCCCCCCCCCCC(C)=O)CCCC