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3,7,11,15-Tetramethyl-1-(3-methyl-2-thienyl)-1-hexadecanone

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

3,7,11,15-Tetramethyl-1-(3-methyl-2-thienyl)-1-hexadecanone
SpectraBase Compound ID 2sExVMy6img
InChI InChI=1S/C25H44OS/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)18-24(26)25-23(6)16-17-27-25/h16-17,19-22H,7-15,18H2,1-6H3
InChIKey QCFFAURPENUWCN-UHFFFAOYSA-N
Mol Weight 392.7 g/mol
Molecular Formula C25H44OS
Exact Mass 392.311287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YHq4vMkdcX
Name 3,7,11,15-Tetramethyl-1-(3-methyl-2-thienyl)-1-hexadecanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.311287210 u
Formula C25H44OS
InChI InChI=1S/C25H44OS/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)18-24(26)25-23(6)16-17-27-25/h16-17,19-22H,7-15,18H2,1-6H3
InChIKey QCFFAURPENUWCN-UHFFFAOYSA-N
Molecular Weight 392.686 g/mol
SMILES C(CCC(CC(C=1SC=CC1C)=O)C)C(C)CCCC(C)CCCC(C)C