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9,10-bis(methylsulfanyl)hexadecanenitrile
SpectraBase Compound ID GL1uVjGpxIU
InChI InChI=1S/C18H35NS2/c1-4-5-6-11-14-17(20-2)18(21-3)15-12-9-7-8-10-13-16-19/h17-18H,4-15H2,1-3H3
InChIKey CFAWLOIXOUCLOM-UHFFFAOYSA-N
Mol Weight 329.6 g/mol
Molecular Formula C18H35NS2
Exact Mass 329.221092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OAxQIwqIz8
Name 9,10-bis(methylsulfanyl)hexadecanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H35NS2
InChI InChI=1S/C18H35NS2/c1-4-5-6-11-14-17(20-2)18(21-3)15-12-9-7-8-10-13-16-19/h17-18H,4-15H2,1-3H3
InChIKey CFAWLOIXOUCLOM-UHFFFAOYSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611940
Molecular Weight 329.605 g/mol
Quality 544
SMILES C(CCCCCCCC(C(CCCCCC)SC)SC)#N
SPLASH splash10-000t-8900000000-d148683774b5ac409543
Source of Spectrum ACI-56-SM16-Figure S20-B (DOI: 10.1002/anie.201611940)
Wiley ID 1895668