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1-{[(1E)-1-Benzyl-2-phenyloct-1-enyl]thio}-4-methoxybenzene
SpectraBase Compound ID i4t11WRBwm
InChI InChI=1S/C28H32OS/c1-3-4-5-12-17-27(24-15-10-7-11-16-24)28(22-23-13-8-6-9-14-23)30-26-20-18-25(29-2)19-21-26/h6-11,13-16,18-21H,3-5,12,17,22H2,1-2H3/b28-27+
InChIKey KODYPMBGYGEKHY-BYYHNAKLSA-N
Mol Weight 416.6 g/mol
Molecular Formula C28H32OS
Exact Mass 416.217387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPEbtnRPtof
Name 1-{[(1E)-1-Benzyl-2-phenyloct-1-enyl]thio}-4-methoxybenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32OS
InChI InChI=1S/C28H32OS/c1-3-4-5-12-17-27(24-15-10-7-11-16-24)28(22-23-13-8-6-9-14-23)30-26-20-18-25(29-2)19-21-26/h6-11,13-16,18-21H,3-5,12,17,22H2,1-2H3/b28-27+
InChIKey KODYPMBGYGEKHY-BYYHNAKLSA-N
Molecular Weight 416.623 g/mol
SMILES c1(\C(=C/(Sc2ccc(OC)cc2)Cc2ccccc2)CCCCCC)ccccc1
SPLASH splash10-00kf-9730800000-612fb00a5329771dfd75
Source of Spectrum F4-43-3461-9a
Wiley ID 1690571