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1,10-Bis-(3,5-di-t-butyl-4-hydroxyphenylmethyl-thioethylcarboxy)-decane

View entire compound with spectra: 1 MS (GC)

1,10-Bis-(3,5-di-t-butyl-4-hydroxyphenylmethyl-thioethylcarboxy)-decane
SpectraBase Compound ID C1wwobEv7FW
InChI InChI=1S/C46H74O6S2/c1-43(2,3)33-25-31(26-34(41(33)49)44(4,5)6)37(53-13)29-51-39(47)23-21-19-17-15-16-18-20-22-24-40(48)52-30-38(54-14)32-27-35(45(7,8)9)42(50)36(28-32)46(10,11)12/h25-28,37-38,49-50H,15-24,29-30H2,1-14H3
InChIKey YQDCVULVVAANKF-UHFFFAOYSA-N
Mol Weight 787.2 g/mol
Molecular Formula C46H74O6S2
Exact Mass 786.492682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TCkdXUp78F
Name 1,10-Bis-(3,5-di-t-butyl-4-hydroxyphenylmethyl-thioethylcarboxy)-decane
Alternate Name(s) bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(methylsulfanyl)ethyl]dodecanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H74O6S2
InChI InChI=1S/C46H74O6S2/c1-43(2,3)33-25-31(26-34(41(33)49)44(4,5)6)37(53-13)29-51-39(47)23-21-19-17-15-16-18-20-22-24-40(48)52-30-38(54-14)32-27-35(45(7,8)9)42(50)36(28-32)46(10,11)12/h25-28,37-38,49-50H,15-24,29-30H2,1-14H3
InChIKey YQDCVULVVAANKF-UHFFFAOYSA-N
Molecular Weight 787.212 g/mol
SMILES Oc1c(cc(C(COC(CCCCCCCCCCC(OCC(c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)SC)=O)=O)SC)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-001r-9610001100-d14c91b1693f951c4ace
Source of Spectrum IC-1322-0-0
Wiley ID 1416973