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(2SR,3SR)-N-Benzyl-5-methyl-2,3-bis(octylthio)hexan-1-amine
SpectraBase Compound ID KlRz6gk9oj0
InChI InChI=1S/C30H55NS2/c1-5-7-9-11-13-18-22-32-29(24-27(3)4)30(33-23-19-14-12-10-8-6-2)26-31-25-28-20-16-15-17-21-28/h15-17,20-21,27,29-31H,5-14,18-19,22-26H2,1-4H3
InChIKey CVLOHIFQSFHEDZ-UHFFFAOYSA-N
Mol Weight 493.9 g/mol
Molecular Formula C30H55NS2
Exact Mass 493.377593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVOfkenh1JC
Name (2SR,3SR)-N-Benzyl-5-methyl-2,3-bis(octylthio)hexan-1-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H55NS2
InChI InChI=1S/C30H55NS2/c1-5-7-9-11-13-18-22-32-29(24-27(3)4)30(33-23-19-14-12-10-8-6-2)26-31-25-28-20-16-15-17-21-28/h15-17,20-21,27,29-31H,5-14,18-19,22-26H2,1-4H3
InChIKey CVLOHIFQSFHEDZ-UHFFFAOYSA-N
Molecular Weight 493.897 g/mol
SMILES N(CC(C(CC(C)C)SCCCCCCCC)SCCCCCCCC)Cc1ccccc1
SPLASH splash10-00do-9300000000-4579a33344dc9d46baa8
Source of Spectrum F-70-9416-3
Synonyms N-benzyl-5-methyl-2,3-bis(octylsulfanyl)-1-hexanamine N-benzyl-N-[5-methyl-2,3-bis(octylsulfanyl)hexyl]amine
Wiley ID 1597837