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1,4-Benzenediol, 5-hexadecyl-2-methyl-3-(octylthio)-
SpectraBase Compound ID 6ojNRO9aYYJ
InChI InChI=1S/C31H56O2S/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-24-28-26-29(32)27(3)31(30(28)33)34-25-23-21-11-9-7-5-2/h26,32-33H,4-25H2,1-3H3
InChIKey LNIVHQYCLPUXIL-UHFFFAOYSA-N
Mol Weight 492.8 g/mol
Molecular Formula C31H56O2S
Exact Mass 492.400102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nEay7qFJpF
Name 1,4-Benzenediol, 5-hexadecyl-2-methyl-3-(octylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H56O2S
InChI InChI=1S/C31H56O2S/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-24-28-26-29(32)27(3)31(30(28)33)34-25-23-21-11-9-7-5-2/h26,32-33H,4-25H2,1-3H3
InChIKey LNIVHQYCLPUXIL-UHFFFAOYSA-N
Molecular Weight 492.847 g/mol
SMILES Oc1c(c(c(c(c1)CCCCCCCCCCCCCCCC)O)SCCCCCCCC)C
SPLASH splash10-0006-3300900000-f97ccbf05a8edf75d165
Source of Spectrum JX-2015-4-907
Synonyms 5-Hexadecyl-2-methyl-3-(octylthio)benzene-1,4-diol 5-Hexadecyl-2-methyl-3-(octylsulfanyl)benzene-1,4-diol 5-Hexadecyl-2-methyl-3-octylsulfanylbenzene-1,4-diol 5-Hexadecyl-2-methyl-3-octylsulfanyl-benzene-1,4-diol
Wiley ID 1726319