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3,4-BIS(METHYLTHIO)PENTACOSANE

View entire compound with spectra: 1 MS (GC)

3,4-BIS(METHYLTHIO)PENTACOSANE
SpectraBase Compound ID 2NL2i3pPGev
InChI InChI=1S/C27H56S2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(29-4)26(6-2)28-3/h26-27H,5-25H2,1-4H3
InChIKey JFNORFLCOUGNTC-UHFFFAOYSA-N
Mol Weight 444.9 g/mol
Molecular Formula C27H56S2
Exact Mass 444.382344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 322LiBhLyEK
Name 3,4-BIS(METHYLTHIO)PENTACOSANE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H56S2
InChI InChI=1S/C27H56S2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(29-4)26(6-2)28-3/h26-27H,5-25H2,1-4H3
InChIKey JFNORFLCOUGNTC-UHFFFAOYSA-N
Instrument Name VG70
Molecular Weight 444.38
SMILES C(CCCCCCCCCCCCCCCCCCC(C(SC)CC)SC)CC
SPLASH splash10-05fr-9430000000-70632be4b5ddf19d0209
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany