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1-[1-Chloro-3,3-bis-(3-phenyl-propoxymethyl)-cyclobutanesulfinyl]-4-methyl-benzene
SpectraBase Compound ID 7w8cxokt2Nf
InChI InChI=1S/C31H37ClO3S/c1-26-16-18-29(19-17-26)36(33)31(32)22-30(23-31,24-34-20-8-14-27-10-4-2-5-11-27)25-35-21-9-15-28-12-6-3-7-13-28/h2-7,10-13,16-19H,8-9,14-15,20-25H2,1H3
InChIKey HJPJIOXUOGFBGZ-UHFFFAOYSA-N
Mol Weight 525.1 g/mol
Molecular Formula C31H37ClO3S
Exact Mass 524.215194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsrUM2rpht2
Name 1-[1-Chloro-3,3-bis-(3-phenyl-propoxymethyl)-cyclobutanesulfinyl]-4-methyl-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H37ClO3S
InChI InChI=1S/C31H37ClO3S/c1-26-16-18-29(19-17-26)36(33)31(32)22-30(23-31,24-34-20-8-14-27-10-4-2-5-11-27)25-35-21-9-15-28-12-6-3-7-13-28/h2-7,10-13,16-19H,8-9,14-15,20-25H2,1H3
InChIKey HJPJIOXUOGFBGZ-UHFFFAOYSA-N
Molecular Weight 525.147 g/mol
SMILES C1(S(c2ccc(cc2)C)=O)(CC(C1)(COCCCc1ccccc1)COCCCc1ccccc1)Cl
SPLASH splash10-0006-9401000000-e0e91a28d390c69a38e7
Source of Spectrum F4-43-403-1a
Synonyms 3,3-Bis(3-phenylpropoxymethyl)-1-chloro-1-(p-tolylsulfinyl)cyclobutane 1-[1-chloro-3,3-bis(3-phenylpropoxymethyl)cyclobutyl]sulfinyl-4-methylbenzene 1-[1-chloranyl-3,3-bis(3-phenylpropoxymethyl)cyclobutyl]sulfinyl-4-methyl-benzene
Wiley ID 1675117