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Benzoic acid, 2,4-dimethoxy-5-bis(phenylthio)methyl-, 8,8-dimethoxy-2-octyl ester
SpectraBase Compound ID 5pcAj3Miq5F
InChI InChI=1S/C32H40O6S2/c1-23(15-9-6-14-20-29(36-4)37-5)38-31(33)30-27(21-24(34-2)22-28(30)35-3)32(39-25-16-10-7-11-17-25)40-26-18-12-8-13-19-26/h7-8,10-13,16-19,21-23,29,32H,6,9,14-15,20H2,1-5H3
InChIKey PEVCLPHHPOKOLB-UHFFFAOYSA-N
Mol Weight 584.8 g/mol
Molecular Formula C32H40O6S2
Exact Mass 584.226631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDEkRnHXOUC
Name Benzoic acid, 2,4-dimethoxy-5-bis(phenylthio)methyl-, 8,8-dimethoxy-2-octyl ester
Alternate Name(s) Benzoic acid, 2,4-dimethoxy-6-bis(phenylthio)methyl-, 8,8-dimethoxy-2-octyl ester Benzoesaeure, 2,4-dimethoxy-5-bis(phenylthio)methyl-, (8,8-dimethoxy-2-octyl)est 2-[bis(phenylthio)methyl]-4,6-dimethoxy-benzoic acid (7,7-dimethoxy-1-methyl-heptyl) ester 2-[bis(phenylthio)methyl]-4,6-dimethoxybenzoic acid 8,8-dimethoxyoctan-2-yl ester (7,7-dimethoxy-1-methyl-heptyl) 2-[bis(phenylsulfanyl)methyl]-4,6-dimethoxy-benzoate 8,8-Dimethoxyoctan-2-yl 2-[bis(phenylsulfanyl)methyl]-4,6-dimethoxybenzoate 8,8-Dimethoxyoctan-2-yl 2-[bis(phenylsulfanyl)methyl]-4,6-dimethoxy-benzoate
CAS Registry Number 312305-57-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40O6S2
InChI InChI=1S/C32H40O6S2/c1-23(15-9-6-14-20-29(36-4)37-5)38-31(33)30-27(21-24(34-2)22-28(30)35-3)32(39-25-16-10-7-11-17-25)40-26-18-12-8-13-19-26/h7-8,10-13,16-19,21-23,29,32H,6,9,14-15,20H2,1-5H3
InChIKey PEVCLPHHPOKOLB-UHFFFAOYSA-N
Molecular Weight 584.786 g/mol
SMILES c1cccc(SC(c2c(c(cc(c2)OC)OC)C(=O)OC(C)CCCCCC(OC)OC)Sc2ccccc2)c1
SPLASH splash10-0udl-5908100000-a49fe24c75083f344d60
Wiley ID 1490254