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3,4-bis(Methylthio)nonacosane

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3,4-bis(Methylthio)nonacosane
SpectraBase Compound ID KzAsZKiBxXf
InChI InChI=1S/C31H64S2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(33-4)30(6-2)32-3/h30-31H,5-29H2,1-4H3
InChIKey MHJJWGPWTOKKJK-UHFFFAOYSA-N
Mol Weight 501.0 g/mol
Molecular Formula C31H64S2
Exact Mass 500.444944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbqQlKYQ1j1
Name 3,4-BIS(METHYLTHIO)NONACOSANE
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C31H64S2
InChI InChI=1S/C31H64S2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(33-4)30(6-2)32-3/h30-31H,5-29H2,1-4H3
InChIKey MHJJWGPWTOKKJK-UHFFFAOYSA-N
Instrument Name VG70
Molecular Weight 500.44
SMILES C(CCCCCCCCCCCCCCCCCCCCCCC(C(SC)CC)SC)CC
SPLASH splash10-0axr-9302000000-d0b66aa5abcef8dbe6b7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany