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

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

1-Dodecanone, 2-methyl-1-(4-methyl-5-tridecyl-2-thienyl)-
SpectraBase Compound ID 7rHmsZtCP7N
InChI InChI=1S/C31H56OS/c1-5-7-9-11-13-15-16-17-19-21-23-25-29-28(4)26-30(33-29)31(32)27(3)24-22-20-18-14-12-10-8-6-2/h26-27H,5-25H2,1-4H3
InChIKey APJCOKVMNLBDHJ-UHFFFAOYSA-N
Mol Weight 476.8 g/mol
Molecular Formula C31H56OS
Exact Mass 476.405188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqS6IKIz9Mo
Name 1-Dodecanone, 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 476.405187596 u
Formula C31H56OS
InChI InChI=1S/C31H56OS/c1-5-7-9-11-13-15-16-17-19-21-23-25-29-28(4)26-30(33-29)31(32)27(3)24-22-20-18-14-12-10-8-6-2/h26-27H,5-25H2,1-4H3
InChIKey APJCOKVMNLBDHJ-UHFFFAOYSA-N
Molecular Weight 476.848 g/mol
SMILES C1=C(SC(=C1C)CCCCCCCCCCCCC)C(C(C)CCCCCCCCCC)=O