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3-Phenylsulfanyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 3P5sE6QGROd
InChI InChI=1S/C22H24O4S2/c1-25-20(23)22(21(24)26-2)13-16(15-27-17-9-5-3-6-10-17)19(14-22)28-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3
InChIKey CRVMOZHVKARLRN-UHFFFAOYSA-N
Mol Weight 416.55 g/mol
Molecular Formula C22H24O4S2
Exact Mass 416.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5zzddM2ZQr
Name 3-Phenylsulfanyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O4S2
InChI InChI=1S/C22H24O4S2/c1-25-20(23)22(21(24)26-2)13-16(15-27-17-9-5-3-6-10-17)19(14-22)28-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3
InChIKey CRVMOZHVKARLRN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 416.550 g/mol
SMILES C1(CC(C(C1)CSc1ccccc1)Sc1ccccc1)(C(=O)OC)C(=O)OC
SPLASH splash10-014i-9320100000-e556a26eea1858dbcc77
Source of Spectrum ASC-347-1587/SM10-3d
Synonyms Dimethyl 3-(phenylthio)-4-((phenylthio)methyl)cyclopentane-1,1-dicarboxylate
Wiley ID 1767766