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6-Phenyl-2,4,4-tris(phenylthio)hexanoic acid methyl ester
SpectraBase Compound ID 4RLPIpyokQ
InChI InChI=1S/C31H30O2S3/c1-33-30(32)29(34-26-16-8-3-9-17-26)24-31(35-27-18-10-4-11-19-27,36-28-20-12-5-13-21-28)23-22-25-14-6-2-7-15-25/h2-21,29H,22-24H2,1H3
InChIKey CWZJNHRBHXRHKP-UHFFFAOYSA-N
Mol Weight 530.76 g/mol
Molecular Formula C31H30O2S3
Exact Mass 530.140794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2soDwS53g3U
Name 6-Phenyl-2,4,4-tris(phenylthio)hexanoic acid methyl ester
Alternate Name(s) Methyl 6-phenyl-2,4,4-tris(phenylsulfanyl)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30O2S3
InChI InChI=1S/C31H30O2S3/c1-33-30(32)29(34-26-16-8-3-9-17-26)24-31(35-27-18-10-4-11-19-27,36-28-20-12-5-13-21-28)23-22-25-14-6-2-7-15-25/h2-21,29H,22-24H2,1H3
InChIKey CWZJNHRBHXRHKP-UHFFFAOYSA-N
Molecular Weight 530.759 g/mol
SMILES C(CC(C(=O)OC)Sc1ccccc1)(Sc1ccccc1)(Sc1ccccc1)CCc1ccccc1
SPLASH splash10-03di-3901000000-7f5335ac832be4129ca7
Source of Spectrum KC-0-2958-12
Wiley ID 782397