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Trans-4-methylthio-4'-(octadecyloxy)chalcone

View entire compound with spectra: 1 NMR

Trans-4-methylthio-4'-(octadecyloxy)chalcone
SpectraBase Compound ID AsfNBRBrSjA
InChI InChI=1S/C34H50O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-36-32-24-22-31(23-25-32)34(35)28-21-30-19-26-33(37-2)27-20-30/h19-28H,3-18,29H2,1-2H3/b28-21+
InChIKey RWLJVPWVENXEBX-SGWCAAJKSA-N
Mol Weight 522.8 g/mol
Molecular Formula C34H50O2S
Exact Mass 522.353152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7PKyuSEOJ5
Name Trans-4-methylthio-4'-(octadecyloxy)chalcone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.353152022 u
Formula C34H50O2S
InChI InChI=1S/C34H50O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-36-32-24-22-31(23-25-32)34(35)28-21-30-19-26-33(37-2)27-20-30/h19-28H,3-18,29H2,1-2H3/b28-21+
InChIKey RWLJVPWVENXEBX-SGWCAAJKSA-N
Molecular Weight 522.832 g/mol
SMILES C1=C(C=CC(=C1)OCCCCCCCCCCCCCCCCCC)C(=O)\C=C\C1=CC=C(C=C1)SC