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1,1-Bis(3-phenylpropoxymethyl)-3-(p-tolylsulfanyl)cyclobutane

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1,1-Bis(3-phenylpropoxymethyl)-3-(p-tolylsulfanyl)cyclobutane
SpectraBase Compound ID EXXjf9DH9A1
InChI InChI=1S/C31H38O2S/c1-26-16-18-29(19-17-26)34-30-22-31(23-30,24-32-20-8-14-27-10-4-2-5-11-27)25-33-21-9-15-28-12-6-3-7-13-28/h2-7,10-13,16-19,30H,8-9,14-15,20-25H2,1H3
InChIKey UCVVAZGVDBPHSO-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C31H38O2S
Exact Mass 474.259252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MzrGfAJkWw
Name 1,1-bis(3-Phenylpropoxymethyl)-3-(p-tolylsulfanyl)cyclobutane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.259251636 u
Formula C31H38O2S
InChI InChI=1S/C31H38O2S/c1-26-16-18-29(19-17-26)34-30-22-31(23-30,24-32-20-8-14-27-10-4-2-5-11-27)25-33-21-9-15-28-12-6-3-7-13-28/h2-7,10-13,16-19,30H,8-9,14-15,20-25H2,1H3
InChIKey UCVVAZGVDBPHSO-UHFFFAOYSA-N
Molecular Weight 474.703 g/mol
SMILES C1(CC(C1)SC=1C=CC(=CC1)C)(COCCCC1=CC=CC=C1)COCCCC=1C=CC=CC1