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[2,4,6-trimethyl-3-(sulfanylmethyl)-5-[5-[2,4,6-trimethyl-3,5-bis(sulfanylmethyl)phenoxy]pentoxy]phenyl]methanethiol
SpectraBase Compound ID Hl4kDyPyr62
InChI InChI=1S/C27H40O2S4/c1-16-22(12-30)18(3)26(19(4)23(16)13-31)28-10-8-7-9-11-29-27-20(5)24(14-32)17(2)25(15-33)21(27)6/h30-33H,7-15H2,1-6H3
InChIKey BPOHPZBQAGPXNN-UHFFFAOYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C27H40O2S4
Exact Mass 524.191115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsLU8Pz2EQu
Name [2,4,6-trimethyl-3-(sulfanylmethyl)-5-[5-[2,4,6-trimethyl-3,5-bis(sulfanylmethyl)phenoxy]pentoxy]phenyl]methanethiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O2S4
InChI InChI=1S/C27H40O2S4/c1-16-22(12-30)18(3)26(19(4)23(16)13-31)28-10-8-7-9-11-29-27-20(5)24(14-32)17(2)25(15-33)21(27)6/h30-33H,7-15H2,1-6H3
InChIKey BPOHPZBQAGPXNN-UHFFFAOYSA-N
Molecular Weight 524.855 g/mol
SMILES SCc1c(c(OCCCCCOc2c(c(CS)c(c(c2C)CS)C)C)c(c(c1C)CS)C)C
SPLASH splash10-0002-4960000000-9ec4a1da893e4b7b202e
Source of Spectrum K1-2002-247-13
Synonyms [3-[5-[3,5-bis(mercaptomethyl)-2,4,6-trimethyl-phenoxy]pentoxy]-5-(mercaptomethyl)-2,4,6-trimethyl-phenyl]methanethiol
Wiley ID 1521948