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4-(methylthio)-N-octadecylaniline
SpectraBase Compound ID Ay3blQNtiV9
InChI InChI=1S/C25H45NS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-24-19-21-25(27-2)22-20-24/h19-22,26H,3-18,23H2,1-2H3
InChIKey SZEFAHVWLQFEAQ-UHFFFAOYSA-N
Mol Weight 391.7 g/mol
Molecular Formula C25H45NS
Exact Mass 391.327272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 531mizbkJ6
Name 4-(methylthio)-N-octadecylaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H45NS
GC Column HP-5 (30 m x 250 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C25H45NS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-24-19-21-25(27-2)22-20-24/h19-22,26H,3-18,23H2,1-2H3
InChIKey SZEFAHVWLQFEAQ-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201603681
Molecular Weight 391.702 g/mol
Quality 66
Reported Formula C25H45NS
SMILES N(C1=CC=C(SC)C=C1)CCCCCCCCCCCCCCCCCC
SPLASH splash10-0f6x-0609000000-56d6e0afad7dc21b2710
Source of Spectrum ACI-55-SM20-20-1 (DOI: 10.1002/anie.201603681)
Wiley ID 1899156