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2-[4-(Dec-1-ynyl)benzenesulfonyl]-4'-ethyl-biphenyl

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

2-[4-(Dec-1-ynyl)benzenesulfonyl]-4'-ethyl-biphenyl
SpectraBase Compound ID GAWTveV8a5w
InChI InChI=1S/C30H34O2S/c1-3-5-6-7-8-9-10-11-14-26-19-23-28(24-20-26)33(31,32)30-16-13-12-15-29(30)27-21-17-25(4-2)18-22-27/h12-13,15-24H,3-10H2,1-2H3
InChIKey QVHQMDQVIRIICV-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H34O2S
Exact Mass 458.227952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fr4FLvDLjqS
Name 2-[4-(dec-1-Ynyl)benzenesulfonyl]-4'-ethyl-biphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.227951507 u
Formula C30H34O2S
InChI InChI=1S/C30H34O2S/c1-3-5-6-7-8-9-10-11-14-26-19-23-28(24-20-26)33(31,32)30-16-13-12-15-29(30)27-21-17-25(4-2)18-22-27/h12-13,15-24H,3-10H2,1-2H3
InChIKey QVHQMDQVIRIICV-UHFFFAOYSA-N
Molecular Weight 458.660 g/mol
SMILES C=1(C(=CC=CC1)S(C=1C=CC(=CC1)C#CCCCCCCCC)(=O)=O)C1=CC=C(C=C1)CC