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2-Methyl-5-[14-(phenylsulfonyl)tetradecyl]furan

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

2-Methyl-5-[14-(phenylsulfonyl)tetradecyl]furan
SpectraBase Compound ID AQ0YI44jkln
InChI InChI=1S/C25H38O3S/c1-23-20-21-24(28-23)17-13-10-8-6-4-2-3-5-7-9-11-16-22-29(26,27)25-18-14-12-15-19-25/h12,14-15,18-21H,2-11,13,16-17,22H2,1H3
InChIKey RJQMIUWSDRSLSY-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O3S
Exact Mass 418.254166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNYheboZ6fB
Name 2-Methyl-5-[14-(phenylsulfonyl)tetradecyl]furan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.254166255 u
Formula C25H38O3S
InChI InChI=1S/C25H38O3S/c1-23-20-21-24(28-23)17-13-10-8-6-4-2-3-5-7-9-11-16-22-29(26,27)25-18-14-12-15-19-25/h12,14-15,18-21H,2-11,13,16-17,22H2,1H3
InChIKey RJQMIUWSDRSLSY-UHFFFAOYSA-N
Molecular Weight 418.636 g/mol
SMILES C1(S(=O)(=O)CCCCCCCCCCCCCCC=2OC(C)=CC2)=CC=CC=C1