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1-Hexadecanone, 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)-

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

1-Hexadecanone, 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)-
SpectraBase Compound ID KDjbDUYDYYA
InChI InChI=1S/C35H64OS/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-31(3)35(36)34-30-32(4)33(37-34)29-27-25-23-21-18-16-14-12-10-8-6-2/h30-31H,5-29H2,1-4H3
InChIKey VJTHAMXVGGEOAJ-UHFFFAOYSA-N
Mol Weight 533.0 g/mol
Molecular Formula C35H64OS
Exact Mass 532.467788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JjZ3TUyt2o
Name 1-Hexadecanone, 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.467787854 u
Formula C35H64OS
InChI InChI=1S/C35H64OS/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-31(3)35(36)34-30-32(4)33(37-34)29-27-25-23-21-18-16-14-12-10-8-6-2/h30-31H,5-29H2,1-4H3
InChIKey VJTHAMXVGGEOAJ-UHFFFAOYSA-N
Molecular Weight 532.956 g/mol
SMILES C1=C(SC(=C1C)CCCCCCCCCCCCC)C(C(C)CCCCCCCCCCCCCC)=O